Geometry & MOs

Info

ID:	207839
PubChem CID:	80458900
Reduced:	BrNO3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	273.00006
ΔH_f, kcal/mol:	-8.56
Dipole, Da:	7.32
IP(EA), eV:	-9.77(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromopropyl)-4-methoxy-1-nitrobenzene

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[N+](=O)[O-])CC(C2=CC=CC=C2)Br

DOS

IR

Vibrations