Geometry & MOs

Info

ID:	319960
PubChem CID:	126657685
Reduced:	NOF2C14H14 (2)
Stoich.:	ABC2D14E14 (2)
Weight, g/mol:	486.193041
ΔH_f, kcal/mol:	-230.69
Dipole, Da:	3.2
IP(EA), eV:	-8.88(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[4-[[4-[4-(1,1,1,3-tetrafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)C3=CC=C(C=C3)C(CF)(C(F)(F)F)O)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations