Geometry & MOs

Info

ID:	312284
PubChem CID:	126604120
Reduced:	O2C31H32 (1)
Stoich.:	A2B31C32 (1)
Weight, g/mol:	422.161741
ΔH_f, kcal/mol:	-8.14
Dipole, Da:	1.92
IP(EA), eV:	-8.63(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OC(C2=CC=CC=C2)(C3=CC=CC=C3)OC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations