Geometry & MOs

Info

ID:	34073
PubChem CID:	7889717
Reduced:	N4O6H12C15 (1)
Stoich.:	A4B6C12D15 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-80.86
Dipole, Da:	3.73
IP(EA), eV:	-10.23(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=O)COC(=O)C2=CC=NC=C2

DOS

IR

Vibrations