Geometry & MOs

Info

ID:	196780
PubChem CID:	78877282
Reduced:	FO3N4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	405.152241
ΔH_f, kcal/mol:	-93.89
Dipole, Da:	5.09
IP(EA), eV:	-8.98(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)F

DOS

IR

Vibrations