Geometry & MOs

Info

ID:	342374
PubChem CID:	127265197
Reduced:	ON5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	345.078327
ΔH_f, kcal/mol:	109.12
Dipole, Da:	5.02
IP(EA), eV:	-9.73(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylphenyl)-4-(5-nitrothiophene-2-carbonyl)piperazin-2-one

Drug info:

PubChemData

Smile

C1CC1C2=NN=C(N2C3CC3)CNC(=O)C=CC4=CC(=CC=C4)C#N

DOS

IR

Vibrations