Geometry & MOs

Info

ID:	219233
PubChem CID:	85096646
Reduced:	O3C31H48 (1)
Stoich.:	A3B31C48 (1)
Weight, g/mol:	468.396731
ΔH_f, kcal/mol:	-126.66
Dipole, Da:	4.23
IP(EA), eV:	-8.18(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5a,5b,8,8,11a,13b-hexamethyl-1,2,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysen-3-yl)propyl acetate

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CC=C5C4(CCC(C5(C)C(=O)OC)O)C)C)C)C

DOS

IR

Vibrations