Geometry & MOs

Info

ID:	398855
PubChem CID:	135035787
Reduced:	OC4H5 (5)
Stoich.:	AB4C5 (5)
Weight, g/mol:	267.089543
ΔH_f, kcal/mol:	-167.8
Dipole, Da:	4.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.279043
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C[C@@H](/C=C/1\C=CC(=[OH+])C(=C1)OC)[C@H](C)[C@H](C2=CC(=C(C=C2)O)OC)O

DOS

IR

Vibrations