Geometry & MOs

Info

ID:	427702
PubChem CID:	135161468
Reduced:	ClC12H25 (1)
Stoich.:	AB12C25 (1)
Weight, g/mol:	348.087685
ΔH_f, kcal/mol:	-76.61
Dipole, Da:	2.68
IP(EA), eV:	-10.42(1.03)
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]-5,7-dihydroxy-3,4-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

CCCCCC(CC)CC(CC)Cl

DOS

IR

Vibrations