Geometry & MOs

Info

ID:	244071
PubChem CID:	99309614
Reduced:	ClN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	-92.69
Dipole, Da:	6.65
IP(EA), eV:	-8.25(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)CC(=O)NCCC(=O)N2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations