Geometry & MOs

Info

ID:	293964
PubChem CID:	117420326
Reduced:	SO3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	266.188195
ΔH_f, kcal/mol:	-107.37
Dipole, Da:	3.93
IP(EA), eV:	-8.57(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butyl-2,5-dimethoxyphenyl)-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC(=O)CC1=C(C(=CC=C1)OC)OC2CCSC2

DOS

IR

Vibrations