Geometry & MOs

Info

ID:	37550
PubChem CID:	8022126
Reduced:	BrNO4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	377.02627
ΔH_f, kcal/mol:	-133.53
Dipole, Da:	3.38
IP(EA), eV:	-8.85(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-ethylanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations