Geometry & MOs

Info

ID:	352501
PubChem CID:	127283589
Reduced:	OSN4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	257.12766
ΔH_f, kcal/mol:	44.21
Dipole, Da:	6.35
IP(EA), eV:	-9.23(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=CS2)C(=O)N3CCC(=C)CC3

DOS

IR

Vibrations