Geometry & MOs

Info

ID:	310762
PubChem CID:	126587277
Reduced:	BrClNO2C10H13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	337.06774
ΔH_f, kcal/mol:	-80.82
Dipole, Da:	4.14
IP(EA), eV:	-8.4(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)Br)NC(CCCl)O

DOS

IR

Vibrations