Geometry & MOs

Info

ID:	243221
PubChem CID:	99217210
Reduced:	BrN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	386.13972
ΔH_f, kcal/mol:	-79.24
Dipole, Da:	9.96
IP(EA), eV:	-8.79(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)C(=O)CNC(=O)[C@@H]3CC(=O)N(C3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations