Geometry & MOs

Info

ID:	15325
PubChem CID:	438030
Reduced:	NO3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	229.073893
ΔH_f, kcal/mol:	-95.69
Dipole, Da:	5.3
IP(EA), eV:	-8.87(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-9-oxo-2,6,7,8-tetrahydrocyclopenta[g]isoquinoline-3-carbaldehyde

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=O)C3=C(NC(=CC3=C2)C=O)O

DOS

IR

Vibrations