Geometry & MOs

Info

ID:	18975
PubChem CID:	551956
Reduced:	NOC21H37 (1)
Stoich.:	ABC21D37 (1)
Weight, g/mol:	319.287515
ΔH_f, kcal/mol:	-107.76
Dipole, Da:	1.65
IP(EA), eV:	-9.48(2.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-ol

Drug info:

PubChemData

Smile

CCC1CCC2C1(CCC3C2CCC4C3(C(CC(C4)N)O)C)C

DOS

IR

Vibrations