Geometry & MOs

Info

ID:	267806
PubChem CID:	103589664
Reduced:	BrN3O3H12C13 (1)
Stoich.:	AB3C3D12E13 (1)
Weight, g/mol:	352.0171
ΔH_f, kcal/mol:	19.61
Dipole, Da:	7.07
IP(EA), eV:	-8.86(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromo-5-nitrophenoxy)-5-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=CC(=CN=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations