Geometry & MOs

Info

ID:	30133
PubChem CID:	840219
Reduced:	NOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	298.113984
ΔH_f, kcal/mol:	-62.17
Dipole, Da:	3.19
IP(EA), eV:	-9.05(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4-phenylpiperazin-1-yl)-3-thiophen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2N(C1=O)CC(=O)N

DOS

IR

Vibrations