Geometry & MOs

Info

ID:	437284
PubChem CID:	135221535
Reduced:	N2O5C9H20 (1)
Stoich.:	A2B5C9D20 (1)
Weight, g/mol:	543.232046
ΔH_f, kcal/mol:	-156.63
Dipole, Da:	4.12
IP(EA), eV:	-8.9(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2,2,2-trifluoro-1-[6-methyl-1-(3,3,5,5-tetramethylcyclohexyl)-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]ethanol

Drug info:

PubChemData

Smile

COCN1C[N+](C(C1OC)OC)(COC)[O-]

DOS

IR

Vibrations