Geometry & MOs

Info

ID:	121558
PubChem CID:	50773221
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	421.130553
ΔH_f, kcal/mol:	-19.7
Dipole, Da:	7.4
IP(EA), eV:	-8.67(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[N-(3-chlorophenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=NCC2=CC=NC=C2)NC(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations