Geometry & MOs

Info

ID:

137252

PubChem CID:

52177307

Reduced:

NC8H18 (1)

Stoich.:

AB8C18 (1)

Weight, g/mol:

127.1361

ΔHf, kcal/mol:

1.72

Dipole, Da:

1.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752990

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-propan-2-ylpiperidine

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CCC[NH2+]C1

DOS

IR

Vibrations