Geometry & MOs

Info

ID:	36037
PubChem CID:	7980679
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	333.136493
ΔH_f, kcal/mol:	-138.17
Dipole, Da:	4.83
IP(EA), eV:	-9.42(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(=O)NC)OC(=O)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations