Geometry & MOs

Info

ID:	312374
PubChem CID:	126604487
Reduced:	SO4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	221.060742
ΔH_f, kcal/mol:	-113.93
Dipole, Da:	3.87
IP(EA), eV:	-8.18(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)OC)O)C2=C(C=C(C=C2)O)OS

DOS

IR

Vibrations