Geometry & MOs

Info

ID:	188716
PubChem CID:	77758528
Reduced:	OC21H26 (1)
Stoich.:	AB21C26 (1)
Weight, g/mol:	226.074228
ΔH_f, kcal/mol:	2.1
Dipole, Da:	1.5
IP(EA), eV:	-8.42(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-oxo-7-prop-2-enyl-4aH-quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC=CCC1C2=CC=CC=C2OC(=C1CC=CC)CC=CC

DOS

IR

Vibrations