Geometry & MOs

Info

ID:	36043
PubChem CID:	7980693
Reduced:	NO2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-102.86
Dipole, Da:	6.44
IP(EA), eV:	-8.81(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations