Geometry & MOs

Info

ID:	184381
PubChem CID:	77154223
Reduced:	N3O3C11H17 (1)
Stoich.:	A3B3C11D17 (1)
Weight, g/mol:	403.251129
ΔH_f, kcal/mol:	-102.76
Dipole, Da:	5.99
IP(EA), eV:	-9.56(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-[(benzylamino)methyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

C1CCOC(C1)OC(=O)C(CN2C=CN=C2)N

DOS

IR

Vibrations