Geometry & MOs

Info

ID:	284041
PubChem CID:	104029283
Reduced:	Br2O3N4H6C11 (1)
Stoich.:	A2B3C4D6E11 (1)
Weight, g/mol:	329.06266
ΔH_f, kcal/mol:	32.36
Dipole, Da:	4.73
IP(EA), eV:	-9.77(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutoxy)ethyl 3-amino-2-bromobenzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)NC2=CN=C(C=N2)Br

DOS

IR

Vibrations