Geometry & MOs

Info

ID:	302354
PubChem CID:	124361371
Reduced:	NO6C23H25 (1)
Stoich.:	AB6C23D25 (1)
Weight, g/mol:	300.20893
ΔH_f, kcal/mol:	-195.83
Dipole, Da:	8.67
IP(EA), eV:	-8.92(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)O)NCC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3)C)O

DOS

IR

Vibrations