Geometry & MOs

Info

ID:	267815
PubChem CID:	103589682
Reduced:	BrClO3N4H10C12 (1)
Stoich.:	ABC3D4E10F12 (1)
Weight, g/mol:	340.97597
ΔH_f, kcal/mol:	18.35
Dipole, Da:	3.26
IP(EA), eV:	-9.11(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-5-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)OC2=CC(=CC(=C2)[N+](=O)[O-])Br)Cl

DOS

IR

Vibrations