Geometry & MOs

Info

ID:	365040
PubChem CID:	127316690
Reduced:	SN3O3C16H29 (1)
Stoich.:	AB3C3D16E29 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-151.74
Dipole, Da:	3.2
IP(EA), eV:	-8.59(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCCC(C1)C(=O)N2CC3CCCN3CC2C

DOS

IR

Vibrations