Geometry & MOs

Info

ID:	257005
PubChem CID:	103143009
Reduced:	ON2H4C6 (2)
Stoich.:	AB2C4D6 (2)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	89.88
Dipole, Da:	2.2
IP(EA), eV:	-10.0(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-3-isoquinolin-8-ylcyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C2C=CN=CC2=C1N3C=CN=C3)[N+](=O)[O-]

DOS

IR

Vibrations