Geometry & MOs

Info

ID:	303840
PubChem CID:	124490246
Reduced:	ON4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	274.229666
ΔH_f, kcal/mol:	3.91
Dipole, Da:	4.69
IP(EA), eV:	-8.39(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,8R,9R,10S,13S,14R)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)[C@@H](C)CNC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

DOS

IR

Vibrations