Geometry & MOs

Info

ID:

219137

PubChem CID:

85090809

Reduced:

PN4O4F6C25H27 (1)

Stoich.:

AB4C4D6E25F27 (1)

Weight, g/mol:

592.195008

ΔHf, kcal/mol:

-392.13

Dipole, Da:

22.47

IP(EA), eV:

 -9.47(-2.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-benzhydryl-1-(3-phenylprop-2-enyl)piperazin-1-ium-1-yl]methyl hydrogen phosphate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)[N+](=O)[O-])[N+](=C1C=CC=C3C(C4=C(N3C)C=CC(=C4)[N+](=O)[O-])(C)C)C)C.F[P-](F)(F)(F)(F)F

DOS

IR

Vibrations