Geometry & MOs

Info

ID:	354330
PubChem CID:	127286456
Reduced:	ClN3O3C20H30 (1)
Stoich.:	AB3C3D20E30 (1)
Weight, g/mol:	379.166269
ΔH_f, kcal/mol:	-133.75
Dipole, Da:	2.96
IP(EA), eV:	-8.44(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCCC(C1)CNC(=O)NCCC2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations