Geometry & MOs

Info

ID:	437156
PubChem CID:	135215318
Reduced:	O9C12H20 (1)
Stoich.:	A9B12C20 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-395.42
Dipole, Da:	8.13
IP(EA), eV:	-10.55(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2S)-3-methylbutan-2-yl]benzoate

Drug info:

PubChemData

Smile

COCC1C(C(C(C(O1)OC)O)OC(=O)CCC(=O)O)O

DOS

IR

Vibrations