Geometry & MOs

Info

ID:	393420
PubChem CID:	135020496
Reduced:	ON2F3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	316.118733
ΔH_f, kcal/mol:	-103.93
Dipole, Da:	5.81
IP(EA), eV:	-8.8(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenyl)-1-phenyl-3-(trifluoromethyl)-4H-pyridazine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2C=CN(N=C2C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations