Geometry & MOs

Info

ID:	307468
PubChem CID:	125307061
Reduced:	OC10H12 (2)
Stoich.:	AB10C12 (2)
Weight, g/mol:	313.050571
ΔH_f, kcal/mol:	-65.04
Dipole, Da:	5.28
IP(EA), eV:	-9.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-chlorobenzoyl)-6-methoxy-3H-quinolin-4-one

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H]3[C@@H]([C@H]1CC(=C)C2=O)CCC4=CC(=O)C=C[C@@]34C

DOS

IR

Vibrations