Geometry & MOs

Info

ID:	122717
PubChem CID:	50818559
Reduced:	ClO3N4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	-17.82
Dipole, Da:	5.07
IP(EA), eV:	-8.78(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=NCC2=CN=CC=C2)NC(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations