Geometry & MOs

Info

ID:

15054

PubChem CID:

428050

Reduced:

N2O2C18H19 (1)

Stoich.:

A2B2C18D19 (1)

Weight, g/mol:

295.144653

ΔHf, kcal/mol:

-27.96

Dipole, Da:

6.27

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.854107

Charge, e:

 1

Chem-info

IUPAC name:

ethyl 1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=[N+](C=C1)CCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations