Geometry & MOs

Info

ID:	73282
PubChem CID:	48417359
Reduced:	ClFON4H8C12 (1)
Stoich.:	ABCD4E8F12 (1)
Weight, g/mol:	279.991866
ΔH_f, kcal/mol:	0.35
Dipole, Da:	5.75
IP(EA), eV:	-9.39(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2,3-dichlorobenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations