Geometry & MOs

Info

ID:	73278
PubChem CID:	48417350
Reduced:	OH6N6C9 (1)
Stoich.:	AB6C6D9 (1)
Weight, g/mol:	302.116761
ΔH_f, kcal/mol:	94.05
Dipole, Da:	4.1
IP(EA), eV:	-9.56(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(4-phenylphenyl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CN=C(C=N1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations