Geometry & MOs

Info

ID:	147326
PubChem CID:	53786982
Reduced:	NC6H11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	446.227952
ΔH_f, kcal/mol:	-5.27
Dipole, Da:	2.58
IP(EA), eV:	-7.85(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[4-(4-pentylphenyl)phenyl]thiophen-2-yl] oct-2-enoate

Drug info:

PubChemData

Smile

CC(C)N1CN(C=C1)C2CCCCC2

DOS

IR

Vibrations