Geometry & MOs

Info

ID:	35938
PubChem CID:	7980521
Reduced:	NO2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-113.09
Dipole, Da:	3.73
IP(EA), eV:	-8.75(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations