Geometry & MOs

Info

ID:	333996
PubChem CID:	127252548
Reduced:	ClN3O8H24C26 (1)
Stoich.:	AB3C8D24E26 (1)
Weight, g/mol:	354.121572
ΔH_f, kcal/mol:	-251.34
Dipole, Da:	7.57
IP(EA), eV:	-8.69(-1.06)
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]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC5=C(C=C4)N(C(=O)C(=O)N5)CCO

DOS

IR

Vibrations