Geometry & MOs

Info

ID:	365223
PubChem CID:	127317071
Reduced:	ON5C20H31 (1)
Stoich.:	AB5C20D31 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-25.29
Dipole, Da:	3.79
IP(EA), eV:	-7.99(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CC(=O)NC3=CN=C(C=C3)N4CCCCC4

DOS

IR

Vibrations