Geometry & MOs

Info

ID:	122713
PubChem CID:	50818478
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	396.139782
ΔH_f, kcal/mol:	-47.79
Dipole, Da:	8.29
IP(EA), eV:	-8.56(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(3,5-difluorophenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-3-methoxybenzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=NCC2=CC=CC=N2)NC3=CC=CC(=C3)C(=O)OC

DOS

IR

Vibrations