Geometry & MOs

Info

ID:	310803
PubChem CID:	126587588
Reduced:	BrN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	235.076392
ΔH_f, kcal/mol:	-42.74
Dipole, Da:	1.8
IP(EA), eV:	-8.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-6-(2-methylprop-2-enyl)-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)COC2=CC(=CC3=C2NC(=O)CC3)Br

DOS

IR

Vibrations