Geometry & MOs

Info

ID:	309699
PubChem CID:	126555145
Reduced:	NO8C16H23 (1)
Stoich.:	AB8C16D23 (1)
Weight, g/mol:	648.210897
ΔH_f, kcal/mol:	-325.9
Dipole, Da:	8.42
IP(EA), eV:	-9.69(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl] 4-(2,5-dimethylhexan-3-yl)benzoate

Drug info:

PubChemData

Smile

CC1=C(OC(=O)O1)COC(NC(CCC(=O)C=C)C(=O)OC(C)C)O

DOS

IR

Vibrations