Geometry & MOs

Info

ID:

395986

PubChem CID:

135027147

Reduced:

N2O2C20H27 (1)

Stoich.:

A2B2C20D27 (1)

Weight, g/mol:

284.108026

ΔHf, kcal/mol:

-31.51

Dipole, Da:

2.87

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.866727

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-5-chloro-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCOC(=O)N(CCC(C1=C[CH-]C=C1)NC(C)C)C2=CC=CC=C2

DOS

IR

Vibrations