Geometry & MOs

Info

ID:	267776
PubChem CID:	103589022
Reduced:	BrN3O3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	352.0171
ΔH_f, kcal/mol:	25.11
Dipole, Da:	6.83
IP(EA), eV:	-9.76(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3-bromo-5-nitrophenoxy)pyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=NC=C1CN)OC2=CC(=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations