Geometry & MOs

Info

ID:

400539

PubChem CID:

135048268

Reduced:

BOC19H32 (1)

Stoich.:

ABC19D32 (1)

Weight, g/mol:

368.289416

ΔHf, kcal/mol:

55.08

Dipole, Da:

1.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.764048

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B-]1(C2CCCC1CCC2)([C@@H]3CCCC[C@H]3C)C(=C=C)OC

DOS

IR

Vibrations