Geometry & MOs

Info

ID:	141246
PubChem CID:	52845837
Reduced:	O3N4C26H32 (1)
Stoich.:	A3B4C26D32 (1)
Weight, g/mol:	353.234137
ΔH_f, kcal/mol:	-103.47
Dipole, Da:	3.89
IP(EA), eV:	-8.81(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-5-methyl-N-propylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCCN([C@@H]1CCCN(C1)CC2=CC=CC=C2)C(=O)CCN3C4=CC=CC=C4C(=O)NC3=O

DOS

IR

Vibrations