Geometry & MOs

Info

ID:	394134
PubChem CID:	135022404
Reduced:	BrNO4H7C8 (2)
Stoich.:	ABC4D7E8 (2)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-112.01
Dipole, Da:	3.64
IP(EA), eV:	-9.75(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline

Drug info:

PubChemData

Smile

COCOC1=C(C=C(C=C1[N+](=O)[O-])Br)C2=C(C(=CC(=C2)Br)[N+](=O)[O-])OCOC

DOS

IR

Vibrations