Geometry & MOs

Info

ID:	304576
PubChem CID:	124756329
Reduced:	OF3N6C16H19 (1)
Stoich.:	AB3C6D16E19 (1)
Weight, g/mol:	301.165108
ΔH_f, kcal/mol:	-134.84
Dipole, Da:	3.88
IP(EA), eV:	-9.46(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-pyridin-2-yl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)CCN2C=CN=C2)C(=O)C3=CN=C(N=C3C(F)(F)F)N

DOS

IR

Vibrations