Geometry & MOs

Info

ID:	425057
PubChem CID:	135124996
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	386.1278
ΔH_f, kcal/mol:	0.89
Dipole, Da:	5.98
IP(EA), eV:	-9.42(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-cyclobutyloxypyridin-4-yl)-3-fluorocyclobutyl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2)CO)[C@@H]3C[C@H]3C4=CN(N=N4)C

DOS

IR

Vibrations