Geometry & MOs

Info

ID:	36092
PubChem CID:	7980756
Reduced:	BrNO3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	349.131408
ΔH_f, kcal/mol:	-69.62
Dipole, Da:	3.46
IP(EA), eV:	-8.77(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-ethoxyanilino)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations