Geometry & MOs

Info

ID:	276969
PubChem CID:	103826051
Reduced:	FN3C12H20 (1)
Stoich.:	AB3C12D20 (1)
Weight, g/mol:	222.102923
ΔH_f, kcal/mol:	-36.71
Dipole, Da:	3.09
IP(EA), eV:	-8.85(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCCC(CC)CNC1=NC=C(C=N1)F

DOS

IR

Vibrations