Geometry & MOs

Info

ID:	175463
PubChem CID:	75908737
Reduced:	BrF2N3O3C20H20 (1)
Stoich.:	AB2C3D3E20F20 (1)
Weight, g/mol:	342.140199
ΔH_f, kcal/mol:	-168.55
Dipole, Da:	4.64
IP(EA), eV:	-9.16(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=CC=C2OC(F)F)C(=O)NNC3=CC=C(C=C3)Br

DOS

IR

Vibrations