Geometry & MOs

Info

ID:	267932
PubChem CID:	103590444
Reduced:	ClFSN2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	281.190341
ΔH_f, kcal/mol:	-3.76
Dipole, Da:	1.7
IP(EA), eV:	-8.6(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-amino-4-fluoro-5-methylphenyl)piperazin-1-yl]-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)NCC2=CC=C(S2)Cl

DOS

IR

Vibrations