Geometry & MOs

Info

ID:	160515
PubChem CID:	57309863
Reduced:	FOS2N3H12C15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	310.204513
ΔH_f, kcal/mol:	13.12
Dipole, Da:	0.71
IP(EA), eV:	-9.27(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[2-(4-methylphenyl)phenyl]methoxy]ethyl]piperazine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CS1)NC(=O)C2=NN=C(S2)C3=CC=C(C=C3)F

DOS

IR

Vibrations