Geometry & MOs

Info

ID:	73211
PubChem CID:	48417208
Reduced:	FON4H9C12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	296.05211
ΔH_f, kcal/mol:	9.23
Dipole, Da:	5.25
IP(EA), eV:	-9.42(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(trifluoromethoxy)benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations