Geometry & MOs

Info

ID:	257118
PubChem CID:	103143887
Reduced:	NO2H13C17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	283.040006
ΔH_f, kcal/mol:	-18.33
Dipole, Da:	6.57
IP(EA), eV:	-9.41(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-isoquinolin-8-ylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C(=O)O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations