Geometry & MOs

Info

ID:	381572
PubChem CID:	134972351
Reduced:	OSC10H20 (1)
Stoich.:	ABC10D20 (1)
Weight, g/mol:	208.109944
ΔH_f, kcal/mol:	-91.81
Dipole, Da:	3.57
IP(EA), eV:	-8.64(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(hydroxymethyl)-2,4,6-trimethylphenyl]acetic acid

Drug info:

PubChemData

Smile

C[C@H]1CCC([C@@H](C1)O)C(C)(C)S

DOS

IR

Vibrations