Geometry & MOs

Info

ID:	26796
PubChem CID:	798411
Reduced:	NO5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	341.137556
ΔH_f, kcal/mol:	-177.76
Dipole, Da:	5.08
IP(EA), eV:	-8.68(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(butanoylamino)phenyl]-2-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC[C@@H](CNC(=O)C2=CC=CC=C2C(=O)O)O

DOS

IR

Vibrations