Geometry & MOs

Info

ID:

377155

PubChem CID:

134223193

Reduced:

SN5H35C52 (1)

Stoich.:

AB5C35D52 (1)

Weight, g/mol:

302.110534

ΔHf, kcal/mol:

264.61

Dipole, Da:

4.31

IP(EA), eV:

 -8.19(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(1R)-2-bicyclo[2.2.1]hept-5-enyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol

Drug info:

PubChemData

Smile

CN1C(N=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3)N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)C8=CC=CC=C8N7C9=CC1=C(C=C9)SC2=CC=CC=C21)C1=CC=CC=C14

DOS

IR

Vibrations