Geometry & MOs

Info

ID:	39461
PubChem CID:	8140888
Reduced:	N3O6C19H21 (1)
Stoich.:	A3B6C19D21 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-125.45
Dipole, Da:	4.44
IP(EA), eV:	-9.1(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

DOS

IR

Vibrations