Geometry & MOs

Info

ID:	205972
PubChem CID:	80185225
Reduced:	ClFN5C14H15 (1)
Stoich.:	ABC5D14E15 (1)
Weight, g/mol:	210.111676
ΔH_f, kcal/mol:	5.23
Dipole, Da:	3.33
IP(EA), eV:	-9.19(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC(=NC(=N2)N)C3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations