Geometry & MOs

Info

ID:

233085

PubChem CID:

87692396

Reduced:

O2N3F6C43H63 (1)

Stoich.:

A2B3C6D43E63 (1)

Weight, g/mol:

767.482447

ΔHf, kcal/mol:

-453.93

Dipole, Da:

8.31

IP(EA), eV:

 -8.4(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1-hexadecylpiperidin-4-yl)-[3-phenyl-4-[[3-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCN1CCC(CC1)C(=O)N2CC[C@H]([C@H](C2)C3=CC=CC=C3)OCC4=CC(=CC(=C4)NCC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations