Geometry & MOs

Info

ID:	286845
PubChem CID:	104223174
Reduced:	NOC3H3 (4)
Stoich.:	ABC3D3 (4)
Weight, g/mol:	260.09094
ΔH_f, kcal/mol:	0.83
Dipole, Da:	5.81
IP(EA), eV:	-9.55(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-3-nitrophenoxy)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC2=NC=C(C=N2)CN)[N+](=O)[O-]

DOS

IR

Vibrations