Geometry & MOs

Info

ID:	219768
PubChem CID:	85164877
Reduced:	SiO7C34H46 (1)
Stoich.:	AB7C34D46 (1)
Weight, g/mol:	609.283886
ΔH_f, kcal/mol:	-281.15
Dipole, Da:	2.56
IP(EA), eV:	-8.04(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10b,10c-dimethyl-2,4,7-tris(2-nitrophenyl)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a-tetradecahydropyrene

Drug info:

PubChemData

Smile

CC1(CCC(C(C1)CC2=CC(=C3C(=CC(=C(C3=C2OC)OC)[Si](C)(C)C)OC)OC)C(=O)OC)OCC4=CC=CC=C4

DOS

IR

Vibrations