Geometry & MOs

Info

ID:	36089
PubChem CID:	7980753
Reduced:	NCl2O3H13C19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	361.167794
ΔH_f, kcal/mol:	-73.91
Dipole, Da:	4.23
IP(EA), eV:	-9.17(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)OCC(=O)NC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations