Geometry & MOs

Info

ID:	320767
PubChem CID:	126663301
Reduced:	NC3H6 (2)
Stoich.:	AB3C6 (2)
Weight, g/mol:	420.204907
ΔH_f, kcal/mol:	5.11
Dipole, Da:	3.04
IP(EA), eV:	-9.0(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(5-butyl-3-methyl-6-oxo-2,5-dihydropyran-4-yl)methylidene]-9-ethyl-7-hydroxy-1H-pyrrolo[3,4-b]quinoline-2-carbaldehyde

Drug info:

PubChemData

Smile

CC(=N)[C@H]1CCCN1

DOS

IR

Vibrations