Geometry & MOs

Info

ID:	257114
PubChem CID:	103143866
Reduced:	N2H12C13 (1)
Stoich.:	A2B12C13 (1)
Weight, g/mol:	263.094629
ΔH_f, kcal/mol:	91.3
Dipole, Da:	3.95
IP(EA), eV:	-9.01(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-isoquinolin-8-yl-5-methylbenzoic acid

Drug info:

PubChemData

Smile

CNCC#CC1=CC=CC2=C1C=NC=C2

DOS

IR

Vibrations