Geometry & MOs

Info

ID:	334010
PubChem CID:	127252562
Reduced:	ON3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	456.153266
ΔH_f, kcal/mol:	23.18
Dipole, Da:	6.61
IP(EA), eV:	-8.26(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN2CCNC(=O)CCCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations