Geometry & MOs

Info

ID:	427700
PubChem CID:	135161466
Reduced:	ON2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	332.09277
ΔH_f, kcal/mol:	-53.98
Dipole, Da:	4.75
IP(EA), eV:	-8.03(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-hydroxy-3,4-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

C/C=C(/C)\NCCCNCCCC(C)C=O

DOS

IR

Vibrations