Geometry & MOs

Info

ID:	314654
PubChem CID:	126622559
Reduced:	NO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	366.1144
ΔH_f, kcal/mol:	-41.83
Dipole, Da:	5.25
IP(EA), eV:	-9.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

calcium;2-phenylbutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN=CC(=O)O

DOS

IR

Vibrations