Geometry & MOs

Info

ID:	318397
PubChem CID:	126651112
Reduced:	ON3C7H7 (1)
Stoich.:	AB3C7D7 (1)
Weight, g/mol:	327.027391
ΔH_f, kcal/mol:	47.73
Dipole, Da:	6.76
IP(EA), eV:	-8.62(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(trifluoromethoxy)benzonitrile

Drug info:

PubChemData

Smile

CN1C2=CC=NC2=CC(=O)N1

DOS

IR

Vibrations