Geometry & MOs

Info

ID:	257115
PubChem CID:	103143876
Reduced:	NO2H13C17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	279.089543
ΔH_f, kcal/mol:	-18.5
Dipole, Da:	6.33
IP(EA), eV:	-9.38(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isoquinolin-8-yl-5-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations