Geometry & MOs

Info

ID:	73260
PubChem CID:	48417301
Reduced:	SO3N5C15H17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	248.050967
ΔH_f, kcal/mol:	-39.71
Dipole, Da:	5.64
IP(EA), eV:	-9.48(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3,5-difluorobenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations