Geometry & MOs

Info

ID:	302550
PubChem CID:	124385028
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-89.42
Dipole, Da:	5.25
IP(EA), eV:	-9.65(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](/C(=N\O)/C1)CC2=CC=C(C=C2)CC(=O)O

DOS

IR

Vibrations