Geometry & MOs

Info

ID:	259443
PubChem CID:	103165766
Reduced:	BrO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	351.08339
ΔH_f, kcal/mol:	-75.85
Dipole, Da:	2.33
IP(EA), eV:	-8.29(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(CC2CCC2)Br)OCC

DOS

IR

Vibrations