Geometry & MOs

Info

ID:	49328
PubChem CID:	11532857
Reduced:	NSiO4C27H37 (1)
Stoich.:	ABC4D27E37 (1)
Weight, g/mol:	466.058188
ΔH_f, kcal/mol:	-166.99
Dipole, Da:	1.14
IP(EA), eV:	-8.18(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-[(3,4-difluorophenyl)methyl]piperazine

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C1=CC=C(C=C1)OC)O)[C@@H](C2=CC=CO2)NC3=CC=C(C=C3)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations