Geometry & MOs

Info

ID:	255681
PubChem CID:	103133963
Reduced:	NOSH9C14 (1)
Stoich.:	ABCD9E14 (1)
Weight, g/mol:	344.9556
ΔH_f, kcal/mol:	51.05
Dipole, Da:	5.2
IP(EA), eV:	-9.41(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-chlorophenyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(=O)C3=CC=CS3

DOS

IR

Vibrations