Geometry & MOs

Info

ID:	209576
PubChem CID:	80689137
Reduced:	OF3N3C9H14 (1)
Stoich.:	AB3C3D9E14 (1)
Weight, g/mol:	268.083937
ΔH_f, kcal/mol:	-171.74
Dipole, Da:	4.42
IP(EA), eV:	-9.42(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCNCC(C(F)(F)F)O

DOS

IR

Vibrations