Geometry & MOs

Info

ID:	193390
PubChem CID:	78387574
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	365.162708
ΔH_f, kcal/mol:	-115.66
Dipole, Da:	5.99
IP(EA), eV:	-9.78(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hexyl-6-oxocyclohexa-2,4-dien-1-ylidene)-8-hydroxy-4aH-quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC2CC3C(NC2CC1C)NC(=O)NC3=O

DOS

IR

Vibrations