Geometry & MOs

Info

ID:	318543
PubChem CID:	126651837
Reduced:	ON4H14C16 (2)
Stoich.:	AB4C14D16 (2)
Weight, g/mol:	434.254498
ΔH_f, kcal/mol:	106.94
Dipole, Da:	6.09
IP(EA), eV:	-8.63(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C/4\N=C5C=CC=C(C5=N4)C6=CC=C(C=C6)C(=O)N7CCCC7)N=C2

DOS

IR

Vibrations