Geometry & MOs

Info

ID:	128092
PubChem CID:	51030839
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	372.277678
ΔH_f, kcal/mol:	26.89
Dipole, Da:	4.38
IP(EA), eV:	-9.69(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)(CO)NC(=O)C2=NN(C3=C2C[C@@H]4[C@H]3C4)C5=NC=C[N+](=C5)[O-]

DOS

IR

Vibrations