Geometry & MOs

Info

ID:	288835
PubChem CID:	104326676
Reduced:	BrFON2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	266.179442
ΔH_f, kcal/mol:	-35.22
Dipole, Da:	5.44
IP(EA), eV:	-8.24(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethoxy-3-fluorophenyl)-3-methyl-1,5-diazocane

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC2=NC=C(C=C2C)Br)F

DOS

IR

Vibrations