Geometry & MOs

Info

ID:	255688
PubChem CID:	103134018
Reduced:	BrNOSH8C14 (1)
Stoich.:	ABCDE8F14 (1)
Weight, g/mol:	281.060742
ΔH_f, kcal/mol:	61.37
Dipole, Da:	4.63
IP(EA), eV:	-9.5(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-5-methylphenyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(=O)C3=CSC(=C3)Br

DOS

IR

Vibrations