Geometry & MOs

Info

ID:	15178
PubChem CID:	432243
Reduced:	NO6H13C16 (1)
Stoich.:	AB6C13D16 (1)
Weight, g/mol:	315.074287
ΔH_f, kcal/mol:	-185.46
Dipole, Da:	9.29
IP(EA), eV:	-8.86(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,12b-dihydro-6H-[1,3]benzodioxolo[6,5-a]quinolizine-2,3-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CN2C=C(C(=CC2C3=CC4=C(C=C31)OCO4)C(=O)O)C(=O)O

DOS

IR

Vibrations