Geometry & MOs

Info

ID:	318544
PubChem CID:	126651846
Reduced:	ON2F3C25H33 (1)
Stoich.:	AB2C3D25E33 (1)
Weight, g/mol:	448.233763
ΔH_f, kcal/mol:	-188.96
Dipole, Da:	4.6
IP(EA), eV:	-8.31(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CC(C)CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(C)(C(F)(F)F)O

DOS

IR

Vibrations