Geometry & MOs

Info

ID:	334323
PubChem CID:	127252875
Reduced:	NO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	428.158351
ΔH_f, kcal/mol:	-124.26
Dipole, Da:	4.27
IP(EA), eV:	-8.96(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethoxy-N-[(4-methoxy-6-methyl-5-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CN1CCC2=CC3=C(C(=C2C1=O)O)OCO3

DOS

IR

Vibrations