Geometry & MOs

Info

ID:	165830
PubChem CID:	74602691
Reduced:	NO4C6H14 (1)
Stoich.:	AB4C6D14 (1)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	-157.33
Dipole, Da:	2.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754136
Charge, e:	-2

Chem-info

IUPAC name:

3-[4-(1-carboxylatoethyl)phenyl]-2-methylpropanoate

Drug info:

PubChemData

Smile

C(C1C(C(C(O1)CO)O)O)[NH3+]

DOS

IR

Vibrations