Geometry & MOs

Info

ID:	267753
PubChem CID:	103588390
Reduced:	BrNO5H8C9 (1)
Stoich.:	ABC5D8E9 (1)
Weight, g/mol:	345.02119
ΔH_f, kcal/mol:	-103.4
Dipole, Da:	4.01
IP(EA), eV:	-10.35(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-bromo-5-nitrophenoxy)hexanoate

Drug info:

PubChemData

Smile

CC(C(=O)O)OC1=CC(=CC(=C1)[N+](=O)[O-])Br

DOS

IR

Vibrations