Geometry & MOs

Info

ID:	125177
PubChem CID:	50913444
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	349.133888
ΔH_f, kcal/mol:	-4.4
Dipole, Da:	4.03
IP(EA), eV:	-8.2(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[2-(4-fluorophenyl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC2=C(C=NN3C2=CC=C3N)C(=O)N

DOS

IR

Vibrations