Geometry & MOs

Info

ID:	282893
PubChem CID:	103944390
Reduced:	O2N5H9C13 (1)
Stoich.:	A2B5C9D13 (1)
Weight, g/mol:	238.060309
ΔH_f, kcal/mol:	32.57
Dipole, Da:	7.41
IP(EA), eV:	-9.81(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dicyanophenyl)-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)NN=C1C(=O)NC2=CC(=C(C=C2)C#N)C#N

DOS

IR

Vibrations