Geometry & MOs

Info

ID:	302551
PubChem CID:	124385030
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-133.99
Dipole, Da:	4.46
IP(EA), eV:	-9.75(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-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