Geometry & MOs

Info

ID:	222324
PubChem CID:	85296738
Reduced:	O3H22C24 (1)
Stoich.:	A3B22C24 (1)
Weight, g/mol:	359.282429
ΔH_f, kcal/mol:	-46.46
Dipole, Da:	2.8
IP(EA), eV:	-9.48(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(cyclopropylamino)methyl]-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CCOC(=O)C=C1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1

DOS

IR

Vibrations