Geometry & MOs

Info

ID:	48184
PubChem CID:	10537761
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-143.3
Dipole, Da:	1.59
IP(EA), eV:	-10.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-ethoxy-2-methyl-3-oxopropanoic acid

Drug info:

PubChemData

Smile

C=CC[C@@H]([C@H](CO)O)OC(=O)C1=CC=CC=C1

DOS

IR

Vibrations