Geometry & MOs

Info

ID:

233673

PubChem CID:

91561458

Reduced:

NPO8H18C22 (1)

Stoich.:

ABC8D18E22 (1)

Weight, g/mol:

526.148966

ΔHf, kcal/mol:

-313.03

Dipole, Da:

4.94

IP(EA), eV:

 -9.32(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,1,1-trifluoro-4-[[2-[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl]iminocyclohexylidene]amino]-2-(trifluoromethyl)pentan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)OP(=O)(O)OCCN

DOS

IR

Vibrations