Geometry & MOs

Info

ID:	410465
PubChem CID:	135083262
Reduced:	NPO5C30H40 (1)
Stoich.:	ABC5D30E40 (1)
Weight, g/mol:	640.453805
ΔH_f, kcal/mol:	-227.88
Dipole, Da:	5.24
IP(EA), eV:	-8.51(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-ditert-butyl-6-(4-methoxy-2-methylbutan-2-yl)phenyl]-[2,4-ditert-butyl-6-(4-methoxy-2-methylbutan-2-yl)phenyl]phosphanylidenephosphane

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3C4=CC=C(C=C4)C(=O)N[C@@H]5[C@H]([C@@H](CO[C@H]5O)O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3C4=CC=C(C=C4)C(=O)N[C@@H]5[C@H]([C@@H](CO[C@H]5O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):