Geometry & MOs

Info

ID:	317218
PubChem CID:	126633855
Reduced:	NO3C12H18 (2)
Stoich.:	AB3C12D18 (2)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-183.03
Dipole, Da:	0.71
IP(EA), eV:	-9.15(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylphenyl)-3-methylbutane-1,2-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations