Geometry & MOs

Info

ID:	302595
PubChem CID:	124385244
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	255.066221
ΔH_f, kcal/mol:	-118.31
Dipole, Da:	3.23
IP(EA), eV:	-9.83(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[(6-chloropyridin-3-yl)methyl]-3-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](CC1=CN=C(C=C1)Cl)C(=O)C

DOS

IR

Vibrations