Geometry & MOs

Info

ID:	189777
PubChem CID:	77903575
Reduced:	ClNO2C21H36 (1)
Stoich.:	ABC2D21E36 (1)
Weight, g/mol:	333.266779
ΔH_f, kcal/mol:	-181.48
Dipole, Da:	4.59
IP(EA), eV:	-9.53(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1CCC2C1(CCC3C2CCC4C3(CC(C(C4)N)O)C)C.Cl

DOS

IR

Vibrations