Geometry & MOs

Info

ID:

375556

PubChem CID:

134213930

Reduced:

N4H35C54 (2)

Stoich.:

A4B35C54 (2)

Weight, g/mol:

157.065827

ΔHf, kcal/mol:

552.13

Dipole, Da:

3.26

IP(EA), eV:

 -8.58(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-2-ethyl-1-methyl-2H-pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC(=C3)C4=CC=CC5=C4C(=CC=C5)C6=CC(=CC=C6)C7=NC(=CC(=N7)C8=CC=CC(=C8)C9=CC(=CC=C9)C1=NC(=CC(=N1)C1=CC=CC(=C1)C1=CC2=C(C=CC=C2C2=CC(=CC=C2)C2=NC(=NC(=C2)C2=CC=CC=C2)C2=CC=CC=C2)C=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations