Geometry & MOs

Info

ID:	193915
PubChem CID:	78456076
Reduced:	NO4H25C26 (1)
Stoich.:	AB4C25D26 (1)
Weight, g/mol:	413.162708
ΔH_f, kcal/mol:	-57.64
Dipole, Da:	6.93
IP(EA), eV:	-8.9(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxocyclohexyl) 3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2,8a-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)COC(=O)C1=C2CCC(=C2N=C3C1C=CC=C3)C=C4C=CC(=O)C=C4

DOS

IR

Vibrations