Geometry & MOs

Info

ID:	426083
PubChem CID:	135136473
Reduced:	FON3C19H38 (1)
Stoich.:	ABC3D19E38 (1)
Weight, g/mol:	200.120115
ΔH_f, kcal/mol:	-124.55
Dipole, Da:	3.95
IP(EA), eV:	-8.52(2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)CCC(C)N2CCC(C(C2)F)N(C)C)C(C)C

DOS

IR

Vibrations