Geometry & MOs

Info

ID:	30147
PubChem CID:	840319
Reduced:	NS2C8H13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	257.080041
ΔH_f, kcal/mol:	16.92
Dipole, Da:	2.64
IP(EA), eV:	-8.66(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methylpyridin-2-yl)-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCSC1=CC=C(S1)CCN

DOS

IR

Vibrations