Geometry & MOs

Info

ID:	127487
PubChem CID:	51003453
Reduced:	O3C22H36 (1)
Stoich.:	A3B22C36 (1)
Weight, g/mol:	304.165014
ΔH_f, kcal/mol:	-157.05
Dipole, Da:	1.51
IP(EA), eV:	-9.08(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-di(butan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol

Drug info:

PubChemData

Smile

C/C/1=C/[C@@H]2[C@H](CC[C@@]([C@@H]2CC[C@@]3([C@H](O3)CC1)C)(C)OC(=O)C)C(C)C

DOS

IR

Vibrations