Geometry & MOs

Info

ID:	5880
PubChem CID:	13949
Reduced:	O5N6C10H10 (1)
Stoich.:	A5B6C10D10 (1)
Weight, g/mol:	294.071267
ΔH_f, kcal/mol:	10.71
Dipole, Da:	5.86
IP(EA), eV:	-9.68(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

COC1=NC(=NC(=N1)NN=CC2=CC=C(O2)[N+](=O)[O-])OC

DOS

IR

Vibrations