Geometry & MOs

Info

ID:	210842
PubChem CID:	80861203
Reduced:	N4O4C11H18 (1)
Stoich.:	A4B4C11D18 (1)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	-65.54
Dipole, Da:	1.52
IP(EA), eV:	-9.9(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-methyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCCCOCCOC1=NC=NC(=C1[N+](=O)[O-])NC

DOS

IR

Vibrations