Geometry & MOs

Info

ID:

399965

PubChem CID:

135044243

Reduced:

O2H13C15 (1)

Stoich.:

A2B13C15 (1)

Weight, g/mol:

175.115782

ΔHf, kcal/mol:

7.43

Dipole, Da:

2.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.068347

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3,4,5,6-pentadeuteriophenyl)pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(O2)[C](C3=CC=CC=C3)O

DOS

IR

Vibrations