Geometry & MOs

Info

ID:	172243
PubChem CID:	75484327
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	285.102588
ΔH_f, kcal/mol:	-5.51
Dipole, Da:	6.34
IP(EA), eV:	-9.32(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanamide

Drug info:

PubChemData

Smile

CN(C(=O)C1=CC=CC=C1OCC2CC2)C3(CCC3)C#N

DOS

IR

Vibrations