Geometry & MOs

Info

ID:	197599
PubChem CID:	78981659
Reduced:	BrN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-101.83
Dipole, Da:	4.82
IP(EA), eV:	-9.25(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN(CCOC1=CC=C(C=C1)Br)C(=O)C2CC(=O)NC2

DOS

IR

Vibrations