Geometry & MOs

Info

ID:	187250
PubChem CID:	77551090
Reduced:	N3O3H29C31 (1)
Stoich.:	A3B3C29D31 (1)
Weight, g/mol:	325.240565
ΔH_f, kcal/mol:	-13.39
Dipole, Da:	5.88
IP(EA), eV:	-9.19(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-ethyl-3-methoxy-17-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile

Drug info:

PubChemData

Smile

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)C3=CN=CC=C3)C(=O)C4=CC=CC=C4OC5=CC=CC=C5

DOS

IR

Vibrations