Geometry & MOs

Info

ID:	27265
PubChem CID:	820046
Reduced:	ClN4H5C12 (1)
Stoich.:	AB4C5D12 (1)
Weight, g/mol:	318.148061
ΔH_f, kcal/mol:	138.25
Dipole, Da:	5.52
IP(EA), eV:	-10.02(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N-(1-phenylpropan-2-ylideneamino)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=C(C(=N2)C#N)C#N)Cl

DOS

IR

Vibrations