Geometry & MOs

Info

ID:

407671

PubChem CID:

135080422

Reduced:

N2C13H17 (1)

Stoich.:

A2B13C17 (1)

Weight, g/mol:

208.109944

ΔHf, kcal/mol:

52.18

Dipole, Da:

0.98

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.901825

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-methoxy-1-methyl-3,4-dihydronaphthalene-1,2-diol

Drug info:

PubChemData

Smile

CCC1=C(N[N+](=C1C)C2=CC=CC=C2)C

DOS

IR

Vibrations