Geometry & MOs

Info

ID:	293669
PubChem CID:	117395732
Reduced:	OF3N3H10C11 (1)
Stoich.:	AB3C3D10E11 (1)
Weight, g/mol:	257.077596
ΔH_f, kcal/mol:	-107.22
Dipole, Da:	4.95
IP(EA), eV:	-8.86(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-(3-amino-2-methyl-1H-pyrazol-5-ylidene)-4-(trifluoromethyl)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C(C(=CC(=C2F)F)F)OC)N

DOS

IR

Vibrations