Geometry & MOs

Info

ID:	145846
PubChem CID:	53601715
Reduced:	FON3C17H24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	346.180504
ΔH_f, kcal/mol:	-49.47
Dipole, Da:	1.25
IP(EA), eV:	-8.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-2-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

CN(CC1CCN(CC1)CCO)CC2=C(C=C(C=C2)F)C#N

DOS

IR

Vibrations