Geometry & MOs

Info

ID:	273921
PubChem CID:	103805869
Reduced:	N3O4C12H23 (1)
Stoich.:	A3B4C12D23 (1)
Weight, g/mol:	345.01466
ΔH_f, kcal/mol:	-166.91
Dipole, Da:	3.27
IP(EA), eV:	-9.14(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCNCC1)C(=O)COCCOC

DOS

IR

Vibrations