Geometry & MOs

Info

ID:	255699
PubChem CID:	103134065
Reduced:	ClNOH12C17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	301.006119
ΔH_f, kcal/mol:	26.2
Dipole, Da:	4.64
IP(EA), eV:	-9.47(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dichlorophenyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)C2=CC=CC3=C2C=NC=C3)Cl

DOS

IR

Vibrations