Geometry & MOs

Info

ID:	255695
PubChem CID:	103134045
Reduced:	NO2H13C17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	281.060742
ΔH_f, kcal/mol:	3.58
Dipole, Da:	6.91
IP(EA), eV:	-9.37(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-1-isoquinolin-8-ylethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations