Geometry & MOs

Info

ID:	271794
PubChem CID:	103692273
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	254.085541
ΔH_f, kcal/mol:	-50.75
Dipole, Da:	5.25
IP(EA), eV:	-9.42(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyano-3-methylphenyl)-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2CCCOC2)C#N

DOS

IR

Vibrations