Geometry & MOs

Info

ID:	6323
PubChem CID:	68092
Reduced:	NO2H7C10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	173.047678
ΔH_f, kcal/mol:	-31.96
Dipole, Da:	5.52
IP(EA), eV:	-9.69(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinoline-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN=C2C(=O)O

DOS

IR

Vibrations