Geometry & MOs

Info

ID:	334178
PubChem CID:	127252730
Reduced:	NO6H23C27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	414.142701
ΔH_f, kcal/mol:	-130.41
Dipole, Da:	0.98
IP(EA), eV:	-8.34(-1.56)
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]-3,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCN2C3=C(C4=C(C2=O)C(=C(C=C4)OC)OC)C(=O)C5=CC=CC=C53

DOS

IR

Vibrations