Geometry & MOs

Info

ID:	121559
PubChem CID:	50773222
Reduced:	ClO2N5H20C22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	476.242356
ΔH_f, kcal/mol:	0.92
Dipole, Da:	5.37
IP(EA), eV:	-8.79(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C(=O)NC(=NCC2=CC=NC=C2)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations