Geometry & MOs

Info

ID:	376673
PubChem CID:	134222696
Reduced:	NO6C29H35 (1)
Stoich.:	AB6C29D35 (1)
Weight, g/mol:	294.030233
ΔH_f, kcal/mol:	-183.25
Dipole, Da:	3.29
IP(EA), eV:	-8.65(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,2-trifluoro-3-methyl-3-(trifluoromethoxy)-2-(trifluoromethyl)butan-1-ol

Drug info:

PubChemData

Smile

CC(=C)[C@@H]1CC[C@](O1)(C)/C=C/C2=C(C3=C(C=C2)NC(=O)[C@H]([C@@]3(C4=CC=C(C=C4)OC)OC)OC)OC

DOS

IR

Vibrations