Geometry & MOs

Info

ID:	334517
PubChem CID:	127253192
Reduced:	ClNO8H22C26 (1)
Stoich.:	ABC8D22E26 (1)
Weight, g/mol:	414.142701
ΔH_f, kcal/mol:	-258.71
Dipole, Da:	8.47
IP(EA), eV:	-8.83(-1.36)
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]-2,6-dimethoxybenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=C(C=CC5=C4OC(=O)C=C5C)O

DOS

IR

Vibrations