Geometry & MOs

Info

ID:	177018
PubChem CID:	76125620
Reduced:	O6C27H46 (1)
Stoich.:	A6B27C46 (1)
Weight, g/mol:	319.251129
ΔH_f, kcal/mol:	-317.52
Dipole, Da:	2.44
IP(EA), eV:	-9.68(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C(C=CC2(CCC(C2CCCO)OC3CCCCO3)CO)OC4CCCCO4

DOS

IR

Vibrations