Geometry & MOs

Info

ID:	355254
PubChem CID:	127288186
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-97.07
Dipole, Da:	2.67
IP(EA), eV:	-8.27(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCNC(=O)N2CCN3CCCC3C2

DOS

IR

Vibrations