Geometry & MOs

Info

ID:	48484
PubChem CID:	10587215
Reduced:	ClNOH3C5 (2)
Stoich.:	ABCD3E5 (2)
Weight, g/mol:	258.02554
ΔH_f, kcal/mol:	14.04
Dipole, Da:	3.65
IP(EA), eV:	-9.01(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-[[(2S)-2-methoxypropoxy]methyl]benzene

Drug info:

PubChemData

Smile

C1=C2C=C(C(=CC2=CC(=C1N)[N+](=O)[O-])Cl)Cl

DOS

IR

Vibrations