Geometry & MOs

Info

ID:

85529

PubChem CID:

49876447

Reduced:

BrN2O2F3H17C23 (1)

Stoich.:

AB2C2D3E17F23 (1)

Weight, g/mol:

346.168615

ΔHf, kcal/mol:

-91.75

Dipole, Da:

3.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.306323

Charge, e:

 -1

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone;chloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N=C2C3=CC=CC=C3CN2C4=CC=CC(=C4)C(F)(F)F.[Br-]

DOS

IR

Vibrations