Geometry & MOs

Info

ID:	387828
PubChem CID:	134987065
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	161.084064
ΔH_f, kcal/mol:	-87.29
Dipole, Da:	1.3
IP(EA), eV:	-8.2(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-5,8-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CCOC1=CC2=CC(=C(C=C2C(=N1)C)OC)OC

DOS

IR

Vibrations