Geometry & MOs

Info

ID:	334344
PubChem CID:	127252896
Reduced:	NO2H9C12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	414.142701
ΔH_f, kcal/mol:	22.24
Dipole, Da:	5.17
IP(EA), eV:	-7.79(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-hydroxy-6-methyl-5-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]-2-(4-methoxyphenoxy)acetamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC5=CN=CC=C5)OC

DOS

IR

Vibrations