Geometry & MOs

Info

ID:	387933
PubChem CID:	134987453
Reduced:	NO5C11H17 (1)
Stoich.:	AB5C11D17 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-229.91
Dipole, Da:	1.76
IP(EA), eV:	-9.89(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-methyl-4-oxobutyl] benzoate

Drug info:

PubChemData

Smile

CC(=O)C[C@H]1CC[C@H](N1C(=O)OC)C(=O)OC

DOS

IR

Vibrations