Geometry & MOs

Info

ID:	310763
PubChem CID:	126587278
Reduced:	BrNO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	321.9953
ΔH_f, kcal/mol:	-90.16
Dipole, Da:	2.73
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC(=CC3=C2NC(=O)CC3)Br

DOS

IR

Vibrations