Geometry & MOs

Info

ID:	67942
PubChem CID:	46507480
Reduced:	N2O2H19C21 (1)
Stoich.:	A2B2C19D21 (1)
Weight, g/mol:	321.140316
ΔH_f, kcal/mol:	12.2
Dipole, Da:	8.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.877429
Charge, e:	1

Chem-info

IUPAC name:

N-benzyl-1-[(3-fluorophenyl)methyl]pyridin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)CC(=O)C3=CC=CC=C3

DOS

IR

Vibrations