Geometry & MOs

Info

ID:	365333
PubChem CID:	127317727
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	251.199762
ΔH_f, kcal/mol:	1.3
Dipole, Da:	3.55
IP(EA), eV:	-8.48(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN=C(O2)CN3CCN(CC3)C4CCC4

DOS

IR

Vibrations