Geometry & MOs

Info

ID:	397719
PubChem CID:	135030614
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-136.66
Dipole, Da:	5.06
IP(EA), eV:	-9.83(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(2S)-1-ethoxy-1-oxopentan-2-yl]-4-methyl-5-phenylpyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C)C1=C(C(=CC(=N1)C(=O)OC)C)C2=CC=CC=C2

DOS

IR

Vibrations