Geometry & MOs

Info

ID:

380901

PubChem CID:

134971500

Reduced:

O2C18H19 (1)

Stoich.:

A2B18C19 (1)

Weight, g/mol:

118.075154

ΔHf, kcal/mol:

42.69

Dipole, Da:

1.52

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.223413

Charge, e:

 0

Chem-info

IUPAC name:

1,2-dideuterio-1H-indene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C+](C2=CC=C(C=C2)C)C3(CC3)OO

DOS

IR

Vibrations