Geometry & MOs

Info

ID:	255717
PubChem CID:	103134233
Reduced:	ClNOSH8C14 (1)
Stoich.:	ABCDE8F14 (1)
Weight, g/mol:	261.115364
ΔH_f, kcal/mol:	48.11
Dipole, Da:	4.4
IP(EA), eV:	-9.5(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2-(3-methylphenyl)ethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations