Geometry & MOs

Info

ID:	73189
PubChem CID:	48417171
Reduced:	BrON4H9C12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	271.070539
ΔH_f, kcal/mol:	58.2
Dipole, Da:	2.74
IP(EA), eV:	-9.48(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)N2C(=C(C=N2)C#N)N)Br

DOS

IR

Vibrations