Geometry & MOs

Info

ID:	25402
PubChem CID:	624316
Reduced:	NOSH13C17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	279.100777
ΔH_f, kcal/mol:	62.28
Dipole, Da:	6.12
IP(EA), eV:	-8.83(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(4-nitrophenyl)-5-phenylpyrazole

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C=CC(=O)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations