Geometry & MOs

Info

ID:	361434
PubChem CID:	127303413
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-145.73
Dipole, Da:	7.64
IP(EA), eV:	-8.77(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methylphenyl)pyrrolidin-1-yl]-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC=CC(=C2)CN3CCOCC3

DOS

IR

Vibrations