Geometry & MOs

Info

ID:

175642

PubChem CID:

75929688

Reduced:

ON2C12H25 (1)

Stoich.:

AB2C12D25 (1)

Weight, g/mol:

212.188863

ΔHf, kcal/mol:

-55.96

Dipole, Da:

4.3

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753696

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1-butylpiperidin-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CCCC[NH+]1CCCCC1CNC(=O)C

DOS

IR

Vibrations