Geometry & MOs

Info

ID:	168790
PubChem CID:	75020001
Reduced:	N2F4O5C30H32 (1)
Stoich.:	A2B4C5D30E32 (1)
Weight, g/mol:	542.198378
ΔH_f, kcal/mol:	-333.09
Dipole, Da:	7.29
IP(EA), eV:	-8.75(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-chloro-4-fluorophenyl)methoxymethyl]-1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperazin-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1COCCCOC2=CC=C(C=C2)N3C(CNCC3=O)COCC4=C(C(=CC=C4)C(F)(F)F)F

DOS

IR

Vibrations