Geometry & MOs

Info

ID:

328866

PubChem CID:

126728430

Reduced:

OSN6C26H28 (1)

Stoich.:

ABC6D26E28 (1)

Weight, g/mol:

568.335114

ΔHf, kcal/mol:

55.0

Dipole, Da:

3.22

IP(EA), eV:

 -9.02(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-[2-[3-tert-butyl-6-(oxiran-2-ylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-ethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

Drug info:

PubChemData

Smile

C1CC(CCC1NCC2=CC(=CC=C2)C3=CC=CC=N3)NC4=NC=CC(=N4)/C=C\5/CNC(=O)S5

DOS

IR

Vibrations