Geometry & MOs

Info

ID:	197438
PubChem CID:	78965657
Reduced:	ION3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	227.08071
ΔH_f, kcal/mol:	57.97
Dipole, Da:	6.92
IP(EA), eV:	-8.75(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4-cyanophenyl)-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=C(C=C(C=C2)C#N)N)I

DOS

IR

Vibrations