Geometry & MOs

Info

ID:	233269
PubChem CID:	89449590
Reduced:	N2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	428.365431
ΔH_f, kcal/mol:	23.81
Dipole, Da:	1.41
IP(EA), eV:	-11.63(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3aS,5aR,5bR,9S,11aR)-1-ethenyl-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol

Drug info:

PubChemData

Smile

CC(C)C(CCC#N)CC#N

DOS

IR

Vibrations