Geometry & MOs

Info

ID:	347956
PubChem CID:	127273018
Reduced:	O2F3N4C15H25 (1)
Stoich.:	A2B3C4D15E25 (1)
Weight, g/mol:	338.177647
ΔH_f, kcal/mol:	-264.78
Dipole, Da:	1.71
IP(EA), eV:	-8.44(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-[2-(4-methylpiperazin-1-yl)propylamino]-2-oxoethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CCC(NC1=O)C(F)(F)F)N2CCN(CC2)C

DOS

IR

Vibrations