Geometry & MOs

Info

ID:	37726
PubChem CID:	8023742
Reduced:	ClN2O3H17C20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	330.063201
ΔH_f, kcal/mol:	-45.1
Dipole, Da:	4.82
IP(EA), eV:	-9.13(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC=C2Cl)C(=O)NC3=CC=CC=C3C(=O)NC4CC4

DOS

IR

Vibrations