Geometry & MOs

Info

ID:	210880
PubChem CID:	80867393
Reduced:	ClOF2N3H8C11 (1)
Stoich.:	ABC2D3E8F11 (1)
Weight, g/mol:	236.118573
ΔH_f, kcal/mol:	-62.24
Dipole, Da:	3.53
IP(EA), eV:	-9.21(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-diethyl-1,2,4-triazol-1-yl)-5-fluoropyrimidin-2-amine

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=N1)OC2=C(C=C(C=C2)F)Cl)F

DOS

IR

Vibrations