Geometry & MOs

Info

ID:

334110

PubChem CID:

127252662

Reduced:

N4O4C33H36 (1)

Stoich.:

A4B4C33D36 (1)

Weight, g/mol:

423.038876

ΔHf, kcal/mol:

-86.75

Dipole, Da:

4.31

IP(EA), eV:

 -8.75(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN(C[C@@H]1CCCN2[C@@H]1CCCC2)C(=O)COC3=CC4=C(C=C3)C5=C6N4C(=O)C7=CC=CC=C7C6=NC=C5

DOS

IR

Vibrations