Geometry & MOs

Info

ID:	429566
PubChem CID:	135169615
Reduced:	OF2N2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	228.163791
ΔH_f, kcal/mol:	-128.32
Dipole, Da:	2.74
IP(EA), eV:	-8.73(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-1-(azepan-1-yl)-2-fluoroethenyl]morpholine

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=C(F)F)N2CCOCC2

DOS

IR

Vibrations