Geometry & MOs

Info

ID:	382682
PubChem CID:	134973992
Reduced:	O2C21H24 (1)
Stoich.:	A2B21C24 (1)
Weight, g/mol:	274.209679
ΔH_f, kcal/mol:	-52.12
Dipole, Da:	2.12
IP(EA), eV:	-9.12(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,10R,13R)-3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CC1=CC=CC=C1)[C@@H](C)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations