Geometry & MOs

Info

ID:	389061
PubChem CID:	134991028
Reduced:	OC11H17 (2)
Stoich.:	AB11C17 (2)
Weight, g/mol:	1668.51218
ΔH_f, kcal/mol:	-120.62
Dipole, Da:	1.84
IP(EA), eV:	-8.53(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane;diiodoruthenium;1-methyl-4-propan-2-ylbenzene

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

CC([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3CC=C(C4)OC)C)C)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

CC([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3CC=C(C4)OC)C)C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):