Geometry & MOs

Info

ID:	22843
PubChem CID:	599064
Reduced:	BrO2N3H10C13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	318.99564
ΔH_f, kcal/mol:	79.92
Dipole, Da:	6.75
IP(EA), eV:	-8.89(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(4-nitrophenyl)methylideneamino]aniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=NNC2=CC=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations