Geometry & MOs

Info

ID:	412428
PubChem CID:	135085319
Reduced:	OCl3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	1038.144785
ΔH_f, kcal/mol:	-96.74
Dipole, Da:	3.18
IP(EA), eV:	-10.61(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5R)-5-[bis[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]-2,2-diethyl-1,3-dioxolan-4-yl]-bis[3,5-bis(trifluoromethyl)phenyl]methanol

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations