Geometry & MOs

Info

ID:	369486
PubChem CID:	127334203
Reduced:	SN3O4C15H27 (1)
Stoich.:	AB3C4D15E27 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-177.13
Dipole, Da:	5.08
IP(EA), eV:	-8.78(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylphenyl)-4-[4-(oxan-4-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)CC(=O)N2CCN(CC2)CC3CCOCC3

DOS

IR

Vibrations