Geometry & MOs

Info

ID:	194455
PubChem CID:	78539254
Reduced:	NO3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	391.04192
ΔH_f, kcal/mol:	-125.85
Dipole, Da:	9.67
IP(EA), eV:	-8.99(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(2-bromophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1C(=O)C(C)OC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations