Geometry & MOs

Info

ID:	280416
PubChem CID:	103849150
Reduced:	NF2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	291.133139
ΔH_f, kcal/mol:	-218.56
Dipole, Da:	3.36
IP(EA), eV:	-9.82(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxyoxolan-3-yl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)CCC2=CC(=C(C=C2)F)F)O

DOS

IR

Vibrations