Geometry & MOs

Info

ID:	431403
PubChem CID:	135171478
Reduced:	OSBr2N4C14H18 (1)
Stoich.:	ABC2D4E14F18 (1)
Weight, g/mol:	223.157229
ΔH_f, kcal/mol:	19.66
Dipole, Da:	4.49
IP(EA), eV:	-8.34(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]oxypiperidine

Drug info:

PubChemData

Smile

CN1C(N(C=C1Br)C2=CSC(=N2)N3CCOCC3C4CC4)Br

DOS

IR

Vibrations