Geometry & MOs

Info

ID:	284377
PubChem CID:	104046196
Reduced:	O2N3C15H25 (1)
Stoich.:	A2B3C15D25 (1)
Weight, g/mol:	291.144373
ΔH_f, kcal/mol:	-94.33
Dipole, Da:	1.72
IP(EA), eV:	-9.09(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-dimethyloxan-4-yl)oxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)OC2CC(OC(C2)C)C)NC

DOS

IR

Vibrations