Geometry & MOs

Info

ID:	26579
PubChem CID:	653147
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	464.194737
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	5.63
IP(EA), eV:	-9.08(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(cyclopropanecarbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-6,7-dimethoxy-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CCCCCCC1=NC2=C(O1)C3=CC=CC=C3NC2=O

DOS

IR

Vibrations