Geometry & MOs

Info

ID:	397114
PubChem CID:	135029752
Reduced:	NOSH13C20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	439.141973
ΔH_f, kcal/mol:	64.51
Dipole, Da:	2.68
IP(EA), eV:	-8.73(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-(4-methoxycarbonylphenyl)-6H-chromeno[4,3-b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

C1C2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4O1)C5=CC=CS5

DOS

IR

Vibrations