Geometry & MOs

Info

ID:	257116
PubChem CID:	103143879
Reduced:	NO3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	279.089543
ΔH_f, kcal/mol:	-47.65
Dipole, Da:	7.62
IP(EA), eV:	-9.3(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-isoquinolin-8-yl-4-methoxybenzoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=CC=CC3=C2C=NC=C3)C(=O)O

DOS

IR

Vibrations