Geometry & MOs

Info

ID:	225563
PubChem CID:	85856120
Reduced:	N2F6H8C15 (1)
Stoich.:	A2B6C8D15 (1)
Weight, g/mol:	263.031333
ΔH_f, kcal/mol:	-243.88
Dipole, Da:	8.92
IP(EA), eV:	-9.29(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(2,4-difluorophenyl)-5-methylbenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=C(C=C(C=C2)N)C(F)(F)F)C(F)(F)F)C#N

DOS

IR

Vibrations