Geometry & MOs

Info

ID:	152465
PubChem CID:	56311397
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	421.203528
ΔH_f, kcal/mol:	-127.5
Dipole, Da:	7.68
IP(EA), eV:	-8.85(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations