Geometry & MOs

Info

ID:	48560
PubChem CID:	11108252
Reduced:	NO2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	265.110279
ΔH_f, kcal/mol:	65.84
Dipole, Da:	1.97
IP(EA), eV:	-9.2(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyphenyl)-2-methylisoquinolin-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=N/OCC#CC(C2=CC=CC=C2)O

DOS

IR

Vibrations