Geometry & MOs

Info

ID:	318549
PubChem CID:	126651853
Reduced:	N2F3O3C23H27 (1)
Stoich.:	A2B3C3D23E27 (1)
Weight, g/mol:	529.182455
ΔH_f, kcal/mol:	-264.86
Dipole, Da:	5.43
IP(EA), eV:	-8.94(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) 4-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(C)(C(F)(F)F)O

DOS

IR

Vibrations