Geometry & MOs

Info

ID:

382812

PubChem CID:

134974175

Reduced:

BrOC2H6 (1)

Stoich.:

ABC2D6 (1)

Weight, g/mol:

110.10955

ΔHf, kcal/mol:

-38.86

Dipole, Da:

0.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.774517

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-methylcycloheptene

Drug info:

PubChemData

Smile

C(CBr)[OH2+]

DOS

IR

Vibrations