Geometry & MOs

Info

ID:	21929
PubChem CID:	593918
Reduced:	BrN3O3H8C12 (1)
Stoich.:	AB3C3D8E12 (1)
Weight, g/mol:	320.9749
ΔH_f, kcal/mol:	34.8
Dipole, Da:	5.68
IP(EA), eV:	-9.56(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromopyridin-2-yl)iminomethyl]-4-nitrophenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])C=NC2=NC=C(C=C2)Br)O

DOS

IR

Vibrations