Geometry & MOs

Info

ID:	205232
PubChem CID:	80072981
Reduced:	ClFN2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	247.106925
ΔH_f, kcal/mol:	-3.55
Dipole, Da:	3.46
IP(EA), eV:	-8.91(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2-methylpyridin-3-yl)tetrazol-1-yl]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2CC3=CC(=CC=C3)F)CCCl

DOS

IR

Vibrations