Geometry & MOs

Info

ID:	310802
PubChem CID:	126587587
Reduced:	BrN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	360.04734
ΔH_f, kcal/mol:	-38.86
Dipole, Da:	1.87
IP(EA), eV:	-8.76(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-8-[(5-ethylpyridin-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)COC2=CC(=CC3=C2NC(=O)CC3)Br

DOS

IR

Vibrations