Geometry & MOs

Info

ID:	15327
PubChem CID:	438032
Reduced:	NO3H9C13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	227.058243
ΔH_f, kcal/mol:	-67.51
Dipole, Da:	4.59
IP(EA), eV:	-8.93(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-9-oxo-2,8-dihydrocyclopenta[g]isoquinoline-3-carbaldehyde

Drug info:

PubChemData

Smile

C1C=CC2=C1C(=O)C3=C(NC(=CC3=C2)C=O)O

DOS

IR

Vibrations