Geometry & MOs

Info

ID:	276071
PubChem CID:	103820354
Reduced:	ClON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	258.116841
ΔH_f, kcal/mol:	-10.44
Dipole, Da:	3.05
IP(EA), eV:	-9.2(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-fluoro-2-methyl-N-pyridin-4-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1C(=O)NC2=C(N=CC=C2)Cl

DOS

IR

Vibrations