Geometry & MOs

Info

ID:	73261
PubChem CID:	48417303
Reduced:	OF2N4H6C11 (1)
Stoich.:	AB2C4D6E11 (1)
Weight, g/mol:	271.070539
ΔH_f, kcal/mol:	-27.15
Dipole, Da:	3.25
IP(EA), eV:	-9.57(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-methyl-3-nitrobenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1F)F)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations