Geometry & MOs

Info

ID:	25454
PubChem CID:	625312
Reduced:	O4C21H30 (1)
Stoich.:	A4B21C30 (1)
Weight, g/mol:	377.30825
ΔH_f, kcal/mol:	-205.61
Dipole, Da:	3.89
IP(EA), eV:	-9.69(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-N-(2-phenylethyl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-amine

Drug info:

PubChemData

Smile

CC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)O

DOS

IR

Vibrations