Geometry & MOs

Info

ID:	55969
PubChem CID:	17397952
Reduced:	NOH8C11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	349.216555
ΔH_f, kcal/mol:	27.87
Dipole, Da:	7.5
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)CC#N

DOS

IR

Vibrations