Geometry & MOs

Info

ID:	183969
PubChem CID:	77095723
Reduced:	FNO3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	343.139287
ΔH_f, kcal/mol:	-155.93
Dipole, Da:	4.38
IP(EA), eV:	-9.25(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1[C@@H]2CC[C@H]1CN(C2)C(=O)CCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations