Geometry & MOs

Info

ID:	210847
PubChem CID:	80861667
Reduced:	BrON3H6C7 (1)
Stoich.:	ABC3D6E7 (1)
Weight, g/mol:	208.096026
ΔH_f, kcal/mol:	48.75
Dipole, Da:	3.24
IP(EA), eV:	-9.15(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-methoxy-6-prop-2-ynoxy-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

C#CCOC1=NC(=NC=C1Br)N

DOS

IR

Vibrations