Geometry & MOs

Info

ID:	215953
PubChem CID:	85085493
Reduced:	NO3H9C11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	203.058243
ΔH_f, kcal/mol:	-56.23
Dipole, Da:	2.75
IP(EA), eV:	-8.76(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-oxo-7,8-dihydroisoquinolin-6-ylidene)acetic acid

Drug info:

PubChemData

Smile

C1COC2=CC3=CC=NC(=O)C3C=C2O1

DOS

IR

Vibrations