Geometry & MOs

Info

ID:	196148
PubChem CID:	78789168
Reduced:	F2N2O3C16H18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-196.54
Dipole, Da:	6.38
IP(EA), eV:	-9.23(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations