Geometry & MOs

Info

ID:	292914
PubChem CID:	117363870
Reduced:	ClO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	244.086622
ΔH_f, kcal/mol:	-123.57
Dipole, Da:	3.28
IP(EA), eV:	-8.31(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(1-hydroxy-2-methylpropan-2-yl)-6-methoxy-3-methylphenol

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1Cl)OC)CCCO)OC

DOS

IR

Vibrations