Geometry & MOs

Info

ID:	257117
PubChem CID:	103143885
Reduced:	NO3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	263.094629
ΔH_f, kcal/mol:	-48.94
Dipole, Da:	6.01
IP(EA), eV:	-9.32(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-isoquinolin-8-yl-2-methylbenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations