Geometry & MOs

Info

ID:	419493
PubChem CID:	135108276
Reduced:	FNO6H14C15 (1)
Stoich.:	ABC6D14E15 (1)
Weight, g/mol:	282.134142
ΔH_f, kcal/mol:	-241.97
Dipole, Da:	7.4
IP(EA), eV:	-9.78(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)COC3=CC(=CC=C3)F)C(=O)O)C(=O)O

DOS

IR

Vibrations