Geometry & MOs

Info

ID:	158218
PubChem CID:	56463176
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	405.226371
ΔH_f, kcal/mol:	-47.1
Dipole, Da:	5.35
IP(EA), eV:	-8.67(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-oxo-3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations