Geometry & MOs

Info

ID:

409049

PubChem CID:

135081823

Reduced:

C9H13 (1)

Stoich.:

A9B13 (1)

Weight, g/mol:

190.189281

ΔHf, kcal/mol:

22.52

Dipole, Da:

0.15

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.857054

Charge, e:

0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C]1[CH][CH][C]([CH]1)C(C)C

DOS

IR

Vibrations