Geometry & MOs

Info

ID:	153206
PubChem CID:	56312366
Reduced:	BrFNSO2C16H17 (1)
Stoich.:	ABCDE2F16G17 (1)
Weight, g/mol:	380.20124
ΔH_f, kcal/mol:	-81.29
Dipole, Da:	4.09
IP(EA), eV:	-9.41(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CCNS(=O)(=O)C1=C(C=C(C=C1)F)Br)C2=CC=CC=C2

DOS

IR

Vibrations