Geometry & MOs

Info

ID:	365039
PubChem CID:	127316689
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	343.192963
ΔH_f, kcal/mol:	-107.9
Dipole, Da:	4.61
IP(EA), eV:	-8.74(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations