Geometry & MOs

Info

ID:	171872
PubChem CID:	75435802
Reduced:	ClFON3C16H23 (1)
Stoich.:	ABCD3E16F23 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	-87.99
Dipole, Da:	4.21
IP(EA), eV:	-8.9(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-acetyl-6-methylpyridin-2-yl)methyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)NCC1CCN(C1C2=CC(=C(C=C2)Cl)F)C

DOS

IR

Vibrations