Geometry & MOs

Info

ID:	318621
PubChem CID:	126652343
Reduced:	ClN3O8C30H32 (1)
Stoich.:	AB3C8D30E32 (1)
Weight, g/mol:	196.143885
ΔH_f, kcal/mol:	-311.86
Dipole, Da:	6.49
IP(EA), eV:	-9.38(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-2,2,4,4-tetramethylhexane

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)C(=O)NC(CC2=CC=C(C=C2)C3=C(N(C(=O)N(C3=O)C)C)C)C(=O)O[C@H]4CO[C@H]5[C@@H]4OCC5O

DOS

IR

Vibrations