Geometry & MOs

Info

ID:

150151

PubChem CID:

53789838

Reduced:

O6N7C33H47 (1)

Stoich.:

A6B7C33D47 (1)

Weight, g/mol:

560.080807

ΔHf, kcal/mol:

-242.75

Dipole, Da:

8.57

IP(EA), eV:

 -9.07(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,1,2,2,3,3,4,4,5-nonafluoro-5,6-dimethyl-6-[(2,2,3,3,4,4,5,5,6-nonafluoro-1,6-dimethylcyclohexyl)methyl]cyclohexane

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N(C)[C@@H](CCCN=C(N)N)C(=O)N)N[C@H](CCN1C(=O)C2=CC3=CC=CC=C3C=C2C1=O)C(=O)OC(C)(C)C

DOS

IR

Vibrations