Geometry & MOs

Info

ID:	24411
PubChem CID:	609991
Reduced:	NO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	311.115758
ΔH_f, kcal/mol:	-96.8
Dipole, Da:	1.58
IP(EA), eV:	-8.69(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzoyl-6,7-dimethoxy-1,3-dihydroisoquinolin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CN(CC2=O)C(=O)C3=CC=CC=C3)OC

DOS

IR

Vibrations