Geometry & MOs

Info

ID:	302552
PubChem CID:	124385031
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-135.27
Dipole, Da:	5.58
IP(EA), eV:	-9.7(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-[[(1R)-2-oxocycloheptyl]methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)C[C@H]2CCCCCC2=O)C(=O)O

DOS

IR

Vibrations