Geometry & MOs

Info

ID:	357491
PubChem CID:	127294124
Reduced:	FON5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	398.04121
ΔH_f, kcal/mol:	0.15
Dipole, Da:	8.56
IP(EA), eV:	-9.08(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromothiophen-2-yl)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C3=C(CCC3)C(=N2)C(=O)N4CCCCC4C5=NC=CN5)F

DOS

IR

Vibrations