Geometry & MOs

Info

ID:	131515
PubChem CID:	51217831
Reduced:	NO3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	383.16452
ΔH_f, kcal/mol:	-53.84
Dipole, Da:	2.97
IP(EA), eV:	-8.78(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorobenzoyl)-N-[2-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCC(=O)NC(C2=CC=CC=C2)C3=CC=CO3

DOS

IR

Vibrations