Geometry & MOs

Info

ID:	365061
PubChem CID:	127316775
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	357.208613
ΔH_f, kcal/mol:	-24.54
Dipole, Da:	4.41
IP(EA), eV:	-8.64(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CN(N=C3C(C)C)C

DOS

IR

Vibrations