Geometry & MOs

Info

ID:	34074
PubChem CID:	7889720
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-79.51
Dipole, Da:	1.35
IP(EA), eV:	-8.87(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)[C@@H](C)OC(=O)C2=CC=NC=C2

DOS

IR

Vibrations