Geometry & MOs

Info

ID:	146790
PubChem CID:	53751112
Reduced:	SN2O6C15H18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	191.058243
ΔH_f, kcal/mol:	-143.25
Dipole, Da:	8.48
IP(EA), eV:	-9.38(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-3,4-dihydroisoquinoline-1-carboxylic acid

Drug info:

PubChemData

Smile

CCSC1C(C(=O)N1)CCOC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations