Geometry & MOs

Info

ID:	435358
PubChem CID:	135191281
Reduced:	OSF3N4C22H25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	196.132411
ΔH_f, kcal/mol:	-141.52
Dipole, Da:	5.25
IP(EA), eV:	-8.44(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,8a-dimethyl-1,5,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone

Drug info:

PubChemData

Smile

CSN1CCC2=C(C1)C(=NN2)C(=O)N3C[C@H]4CC(C[C@H]4C3)C5=CC=CC=C5C(F)(F)F

DOS

IR

Vibrations