Geometry & MOs

Info

ID:	268582
PubChem CID:	103600080
Reduced:	ClO2N4H7C12 (1)
Stoich.:	AB2C4D7E12 (1)
Weight, g/mol:	261.041738
ΔH_f, kcal/mol:	10.22
Dipole, Da:	1.21
IP(EA), eV:	-9.73(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)NC(=O)C2=NNC(=O)C=C2)C#N

DOS

IR

Vibrations