Geometry & MOs

Info

ID:	27415
PubChem CID:	821226
Reduced:	ClON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	-11.32
Dipole, Da:	4.22
IP(EA), eV:	-8.71(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-methoxy-4-oxo-2-phenylbutanoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC(=C(C3=C2C=CC=N3)O)Cl

DOS

IR

Vibrations