Geometry & MOs

Info

ID:	298992
PubChem CID:	117665731
Reduced:	FNOH10C11 (2)
Stoich.:	ABCD10E11 (2)
Weight, g/mol:	353.061885
ΔH_f, kcal/mol:	-88.1
Dipole, Da:	4.48
IP(EA), eV:	-8.99(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(5-fluoro-2-methoxyphenyl)-3-(4-hydroxyphenyl)benzonitrile

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)/C(=N/O)/N)C2=CC(=CC(=C2)F)F)C3=CC=C(C=C3)O

DOS

IR

Vibrations