Geometry & MOs

Info

ID:

335140

PubChem CID:

127254001

Reduced:

ClN5O7H26C27 (1)

Stoich.:

AB5C7D26E27 (1)

Weight, g/mol:

389.077848

ΔHf, kcal/mol:

-155.87

Dipole, Da:

6.23

IP(EA), eV:

 -8.94(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-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

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=CC=C4C5=NN(N=N5)CCCC(=O)O

DOS

IR

Vibrations