Geometry & MOs

Info

ID:	138227
PubChem CID:	52331533
Reduced:	ON3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	329.056032
ΔH_f, kcal/mol:	-37.7
Dipole, Da:	0.92
IP(EA), eV:	-9.08(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-2-nitrophenyl) 3-(tetrazol-1-yl)benzoate

Drug info:

PubChemData

Smile

CCN(C[C@H](C)C#N)CC(=O)N[C@@H](C)C1=CC2=C(CCCC2)C=C1

DOS

IR

Vibrations