Geometry & MOs

Info

ID:	262788
PubChem CID:	103317485
Reduced:	F3N3C15H16 (1)
Stoich.:	A3B3C15D16 (1)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	-98.51
Dipole, Da:	3.2
IP(EA), eV:	-8.64(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(oxolan-3-yl)-2-pyridin-3-yl-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1CC(N2C(=N1)C(=C(N2)C3=CC=CC=C3)C)C(F)(F)F

DOS

IR

Vibrations