Geometry & MOs

Info

ID:	286855
PubChem CID:	104223249
Reduced:	ClO3N4H9C11 (1)
Stoich.:	AB3C4D9E11 (1)
Weight, g/mol:	292.097168
ΔH_f, kcal/mol:	31.38
Dipole, Da:	6.08
IP(EA), eV:	-10.0(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-fluoro-2-nitrophenoxy)pyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)OC2=NC=C(C=N2)CN)[N+](=O)[O-]

DOS

IR

Vibrations