Geometry & MOs

Info

ID:	318546
PubChem CID:	126651848
Reduced:	ON2F3C27H29 (1)
Stoich.:	AB2C3D27E29 (1)
Weight, g/mol:	513.260312
ΔH_f, kcal/mol:	-147.74
Dipole, Da:	5.93
IP(EA), eV:	-9.05(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-2-[3-propan-2-yloxy-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CC=CC(=C2)CC3CCCN(C3)CC4=CC=NC=C4)(C(F)(F)F)O

DOS

IR

Vibrations