Geometry & MOs

Info

ID:

140

PubChem CID:

2178

Reduced:

N4C14H19 (1)

Stoich.:

A4B14C19 (1)

Weight, g/mol:

243.160972

ΔHf, kcal/mol:

46.82

Dipole, Da:

1.29

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.967626

Charge, e:

 1

Chem-info

IUPAC name:

5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC=C(C(=N1)N)C[N+]2=CC=CC=C2C

DOS

IR

Vibrations