Geometry & MOs

Info

ID:	341798
PubChem CID:	127264491
Reduced:	ON2F3H9C14 (1)
Stoich.:	AB2C3D9E14 (1)
Weight, g/mol:	192.069891
ΔH_f, kcal/mol:	-104.31
Dipole, Da:	8.23
IP(EA), eV:	-10.04(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-3-fluoro-5-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C(=NC=C2)C#N)C(F)(F)F

DOS

IR

Vibrations