Geometry & MOs

Info

ID:	35939
PubChem CID:	7980522
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-56.86
Dipole, Da:	7.3
IP(EA), eV:	-9.01(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=NN1C(C)C)OC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations