Geometry & MOs

Info

ID:	2852
PubChem CID:	8732
Reduced:	ClN2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	314.106502
ΔH_f, kcal/mol:	25.32
Dipole, Da:	37.7
IP(EA), eV:	-7.3(-3.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations