Geometry & MOs

Info

ID:	267813
PubChem CID:	103589678
Reduced:	BrO3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	357.94683
ΔH_f, kcal/mol:	17.81
Dipole, Da:	6.69
IP(EA), eV:	-9.51(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-5-nitrophenoxy)-5-chloro-N-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)OC2=CC(=CC(=C2)[N+](=O)[O-])Br)NC

DOS

IR

Vibrations