Geometry & MOs

Info

ID:

424331

PubChem CID:

135122263

Reduced:

O9N10C48H54 (1)

Stoich.:

A9B10C48D54 (1)

Weight, g/mol:

382.096331

ΔHf, kcal/mol:

-299.42

Dipole, Da:

8.25

IP(EA), eV:

 -8.53(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-aminoethyl)-5-(6-methoxypyridin-3-yl)-1H-indole-2-carboxamide;dihydrochloride

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C(=O)NC[C@H]1C[C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)NC(=O)[C@H](CC3=CC4=CC=CC=C4C=C3)NC(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)NCC7=CC=CC=C7)N(C)C(=O)CN

DOS

IR

Vibrations