Geometry & MOs

Info

ID:	286844
PubChem CID:	104223173
Reduced:	N4O4C13H14 (1)
Stoich.:	A4B4C13D14 (1)
Weight, g/mol:	276.085855
ΔH_f, kcal/mol:	-0.26
Dipole, Da:	4.14
IP(EA), eV:	-9.44(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methoxy-2-nitrophenoxy)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

CNCC1=CN=C(N=C1)OC2=C(C=C(C=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations