Geometry & MOs

Info

ID:	48179
PubChem CID:	10537748
Reduced:	O7C9H16 (1)
Stoich.:	A7B9C16 (1)
Weight, g/mol:	236.068473
ΔH_f, kcal/mol:	-294.48
Dipole, Da:	5.53
IP(EA), eV:	-10.2(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(1,3-benzodioxol-5-yl)-2-oxobutanoate

Drug info:

PubChemData

Smile

CO[C@H]1[C@@H]([C@H](OC([C@@H]1OC)O)C(=O)O)OC

DOS

IR

Vibrations