Geometry & MOs

Info

ID:	144895
PubChem CID:	53429525
Reduced:	O3F5H5C9 (1)
Stoich.:	A3B5C5D9 (1)
Weight, g/mol:	282.103814
ΔH_f, kcal/mol:	-365.33
Dipole, Da:	3.6
IP(EA), eV:	-10.76(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylpiperazin-1-yl)-3-methylsulfonylbenzaldehyde

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)OC(F)F)C(=O)O

DOS

IR

Vibrations