Geometry & MOs

Info

ID:	14112
PubChem CID:	404695
Reduced:	ClNOH10C15 (1)
Stoich.:	ABCD10E15 (1)
Weight, g/mol:	255.045092
ΔH_f, kcal/mol:	3.16
Dipole, Da:	3.03
IP(EA), eV:	-8.88(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(NC2=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations