Geometry & MOs

Info

ID:

229533

PubChem CID:

87567962

Reduced:

O3F6N6C21H22 (1)

Stoich.:

A3B6C6D21E22 (1)

Weight, g/mol:

3689.4486

ΔHf, kcal/mol:

-345.85

Dipole, Da:

4.96

IP(EA), eV:

 -8.74(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-tritetracontabromoicosan-1-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1C=CC(=N2)C3=C(C=CC=C3OCCN(C)C)C(F)(F)F)N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations