Geometry & MOs

Info

ID:	168789
PubChem CID:	75019510
Reduced:	FOSN4H9C13 (1)
Stoich.:	ABCD4E9F13 (1)
Weight, g/mol:	576.224735
ΔH_f, kcal/mol:	25.92
Dipole, Da:	4.68
IP(EA), eV:	-9.38(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C1C(=C2C(=NC(=NC2=O)N)N1)SC3=CC=CC(=C3)F

DOS

IR

Vibrations