Geometry & MOs

Info

ID:	354345
PubChem CID:	127286471
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	15.26
Dipole, Da:	3.68
IP(EA), eV:	-8.77(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations