Geometry & MOs

Info

ID:	36091
PubChem CID:	7980755
Reduced:	NO3H8C10 (2)
Stoich.:	AB3C8D10 (2)
Weight, g/mol:	397.03136
ΔH_f, kcal/mol:	-102.22
Dipole, Da:	9.9
IP(EA), eV:	-9.15(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-bromo-4-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations