Geometry & MOs

Info

ID:	122715
PubChem CID:	50818489
Reduced:	F2O3N4H20C22 (1)
Stoich.:	A2B3C4D20E22 (1)
Weight, g/mol:	408.135304
ΔH_f, kcal/mol:	-119.05
Dipole, Da:	5.8
IP(EA), eV:	-8.98(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-(5-chloro-2-methoxyphenyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NC(=NCC2=CC=CC=N2)NC3=CC(=CC(=C3)F)F)OC

DOS

IR

Vibrations