Geometry & MOs

Info

ID:	355486
PubChem CID:	127288549
Reduced:	SN3O3C15H27 (1)
Stoich.:	AB3C3D15E27 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-137.48
Dipole, Da:	4.65
IP(EA), eV:	-8.88(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCCC1C(=O)N2CCN3CCCC3C2

DOS

IR

Vibrations