Geometry & MOs

Info

ID:	36081
PubChem CID:	7980741
Reduced:	ClNO4H16C20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	333.136493
ΔH_f, kcal/mol:	-105.52
Dipole, Da:	6.88
IP(EA), eV:	-8.43(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,5-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2)Cl

DOS

IR

Vibrations