Geometry & MOs

Info

ID:	327758
PubChem CID:	126690986
Reduced:	SCl2N4O9C32H32 (1)
Stoich.:	AB2C4D9E32F32 (1)
Weight, g/mol:	293.190341
ΔH_f, kcal/mol:	-252.87
Dipole, Da:	11.67
IP(EA), eV:	-9.21(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(fluoromethyl)-4-(piperazin-1-ylmethyl)phenyl]morpholine

Drug info:

PubChemData

Smile

COCCOCCOCC(=O)N[C@H]1C2N(C1=O)C3([C@@H](C3/C=C/COC4=C(C=C(C=C4)Cl)C5=NC(=O)C6=C(N5)C=CC(=C6)Cl)CS2)C(=O)O

DOS

IR

Vibrations