Geometry & MOs

Info

ID:	30469
PubChem CID:	841381
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	343.116821
ΔH_f, kcal/mol:	-148.76
Dipole, Da:	6.73
IP(EA), eV:	-10.07(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-2-(4-methyl-2-nitrophenoxy)propanoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O

DOS

IR

Vibrations