Geometry & MOs

Info

ID:	85219
PubChem CID:	49872552
Reduced:	OSN4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	517.20402
ΔH_f, kcal/mol:	32.78
Dipole, Da:	4.78
IP(EA), eV:	-8.6(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-fluorophenyl)-piperidin-1-ylmethyl]-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)N2CCN(C2=O)C3=CC4=C(S3)C=CN=C4C

DOS

IR

Vibrations