Geometry & MOs

Info

ID:	224620
PubChem CID:	85345370
Reduced:	NOSiC17H27 (1)
Stoich.:	ABCD17E27 (1)
Weight, g/mol:	290.22458
ΔH_f, kcal/mol:	-39.75
Dipole, Da:	2.74
IP(EA), eV:	-8.96(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CCC(C(=C=C)[Si](C)(C)C)NC(CO)C1=CC=CC=C1

DOS

IR

Vibrations