Geometry & MOs

Info

ID:	36374
PubChem CID:	8004428
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-136.75
Dipole, Da:	3.3
IP(EA), eV:	-9.29(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)O)N[C@H]2CC(=O)N(C2=O)CCC3=CC=CC=C3

DOS

IR

Vibrations