Geometry & MOs

Info

ID:	122709
PubChem CID:	50818125
Reduced:	O2N5H21C22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	454.140783
ΔH_f, kcal/mol:	10.18
Dipole, Da:	4.4
IP(EA), eV:	-8.4(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(5-chloro-2-methoxyphenyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C(=O)NC(=NCC2=CC=CC=N2)NC3=CC=CC=C3

DOS

IR

Vibrations