Geometry & MOs

Info

ID:	122700
PubChem CID:	50817682
Reduced:	ClO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	434.195405
ΔH_f, kcal/mol:	-45.48
Dipole, Da:	8.02
IP(EA), eV:	-8.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[N'-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(=NCC2CCCO2)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations