Geometry & MOs

Info

ID:	448551
PubChem CID:	135291788
Reduced:	FO2N5C18H34 (1)
Stoich.:	AB2C5D18E34 (1)
Weight, g/mol:	306.210742
ΔH_f, kcal/mol:	-143.63
Dipole, Da:	3.79
IP(EA), eV:	-8.63(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-4-propan-2-ylphenyl)-4-(oxan-4-yl)piperazine

Drug info:

PubChemData

Smile

CC(C)O[C@H]1CCN(C[C@H]1F)C(=O)C2NC(N(N2)C3CCCCCC3)N

DOS

IR

Vibrations