Geometry & MOs

Info

ID:	340747
PubChem CID:	127262758
Reduced:	NPO2C28H28 (1)
Stoich.:	ABC2D28E28 (1)
Weight, g/mol:	890.459285
ΔH_f, kcal/mol:	15.17
Dipole, Da:	2.73
IP(EA), eV:	-8.01(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-diphenylphosphanyl-6-methoxy-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphenyl]-3-methoxy-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphenyl]-diphenylphosphane

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

CN(C)C1=C(C(=CC=C1)OC)C2=C(C=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)OC

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

CN(C)C1=C(C(=CC=C1)OC)C2=C(C=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):