Geometry & MOs

Info

ID:	69788
PubChem CID:	47205398
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-16.37
Dipole, Da:	5.25
IP(EA), eV:	-8.8(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanone

Drug info:

PubChemData

Smile

CCCCCNC(=O)C1=CNC=C1C2=CC=CC=C2

DOS

IR

Vibrations