Geometry & MOs

Info

ID:	73148
PubChem CID:	48417087
Reduced:	ClFO2N4H8C12 (1)
Stoich.:	ABC2D4E8F12 (1)
Weight, g/mol:	278.091609
ΔH_f, kcal/mol:	-25.3
Dipole, Da:	1.52
IP(EA), eV:	-9.54(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(4-pyrazol-1-ylbenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Cl)OCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations