Geometry & MOs

Info

ID:	206246
PubChem CID:	80223100
Reduced:	NOCl2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	236.046489
ΔH_f, kcal/mol:	4.88
Dipole, Da:	2.3
IP(EA), eV:	-9.5(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloropyridin-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)C2=NC=C(C=C2)Cl)Cl

DOS

IR

Vibrations