Geometry & MOs

Info

ID:	122716
PubChem CID:	50818558
Reduced:	ClO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	424.130218
ΔH_f, kcal/mol:	10.18
Dipole, Da:	7.9
IP(EA), eV:	-8.28(-0.61)
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-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC(=NCC2=CN=CC=C2)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations