Geometry & MOs

Info

ID:	372045
PubChem CID:	131290082
Reduced:	ClN3C12H12 (1)
Stoich.:	AB3C12D12 (1)
Weight, g/mol:	232.051574
ΔH_f, kcal/mol:	57.18
Dipole, Da:	2.81
IP(EA), eV:	-8.41(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-amino-4-chlorophenyl)-1-methylpyrazole-3-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=CC(=C2)CC(C#N)N)Cl

DOS

IR

Vibrations