Geometry & MOs

Info

ID:

442341

PubChem CID:

135251440

Reduced:

NC7H16 (1)

Stoich.:

AB7C16 (1)

Weight, g/mol:

129.095634

ΔHf, kcal/mol:

-7.24

Dipole, Da:

1.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756888

Charge, e:

 1

Chem-info

IUPAC name:

1-((2,3-13C2,115N)2,3,4,5-tetrahydropyridin-1-ium-1-yl)ethanone

Drug info:

PubChemData

Smile

C[N+](=CCC[13CH2][13CH3])[13CH3]

DOS

IR

Vibrations