Geometry & MOs

Info

ID:	269071
PubChem CID:	103609855
Reduced:	BrNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	240.082267
ΔH_f, kcal/mol:	-109.15
Dipole, Da:	2.93
IP(EA), eV:	-10.3(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(=O)N(C2=O)CCCCCCO

DOS

IR

Vibrations