Geometry & MOs

Info

ID:	337338
PubChem CID:	127257023
Reduced:	BrNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	346.132885
ΔH_f, kcal/mol:	-85.22
Dipole, Da:	0.95
IP(EA), eV:	-10.45(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-fluoro-6-(pyridine-3-carbonyloxy)hexyl] pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3(CC1CC(C2)(C3)Br)OC(=O)C4=CN=CC=C4

DOS

IR

Vibrations