Geometry & MOs

Info

ID:	373068
PubChem CID:	131309383
Reduced:	NC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	212.106196
ΔH_f, kcal/mol:	90.11
Dipole, Da:	1.69
IP(EA), eV:	-9.65(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-benzyl-2-methylpyrazole-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(CC#N)N)N2C=CN=C2

DOS

IR

Vibrations