Geometry & MOs

Info

ID:

380008

PubChem CID:

134964474

Reduced:

NC17H22 (1)

Stoich.:

AB17C22 (1)

Weight, g/mol:

209.21435

ΔHf, kcal/mol:

54.0

Dipole, Da:

2.0

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755246

Charge, e:

 0

Chem-info

IUPAC name:

1-[(E)-7-methyloct-5-enyl]piperidine

Drug info:

PubChemData

Smile

C=[N+]1CC[C@@H]2[C@]1(CCC2)C/C=C/C3=CC=CC=C3

DOS

IR

Vibrations