Geometry & MOs

Info

ID:	319958
PubChem CID:	126657683
Reduced:	O2N3F4C26H27 (1)
Stoich.:	A2B3C4D26E27 (1)
Weight, g/mol:	551.11954
ΔH_f, kcal/mol:	-217.32
Dipole, Da:	5.06
IP(EA), eV:	-8.77(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[[4-[(2-bromopyridin-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3-tetrafluoropropan-2-ol

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=NC=C4)C(C(F)(F)F)(O)F

DOS

IR

Vibrations