Geometry & MOs

Info

ID:	284046
PubChem CID:	104029665
Reduced:	BrNO3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	342.05791
ΔH_f, kcal/mol:	-108.04
Dipole, Da:	4.69
IP(EA), eV:	-8.93(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-amino-2-bromobenzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)N)Br)C(=O)OCCO

DOS

IR

Vibrations