Geometry & MOs

Info

ID:	264274
PubChem CID:	103448927
Reduced:	O3C8H12 (1)
Stoich.:	A3B8C12 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-120.16
Dipole, Da:	3.11
IP(EA), eV:	-9.47(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)-3-methylbutane-2,3-diol

Drug info:

PubChemData

Smile

CC(C)(C(C1=COC=C1)O)O

DOS

IR

Vibrations