Geometry & MOs

Info

ID:	73198
PubChem CID:	48417187
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	230.060389
ΔH_f, kcal/mol:	7.36
Dipole, Da:	4.89
IP(EA), eV:	-9.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-fluorobenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations