Geometry & MOs

Info

ID:	160231
PubChem CID:	57309577
Reduced:	F2H8C9 (1)
Stoich.:	A2B8C9 (1)
Weight, g/mol:	595.341007
ΔH_f, kcal/mol:	-62.5
Dipole, Da:	0.6
IP(EA), eV:	-9.77(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-hydroxy-3a-methyl-7-[2-(2-methyl-5-phenylmethoxyphenyl)ethyl]-3-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]-1,2,4,6,7,7a-hexahydroinden-5-one

Drug info:

PubChemData

Smile

C=C(CF)C1=CC=C(C=C1)F

DOS

IR

Vibrations