Geometry & MOs

Info

ID:	146195
PubChem CID:	53649117
Reduced:	ClBr2N3O3C34H42 (1)
Stoich.:	AB2C3D3E34F42 (1)
Weight, g/mol:	356.214016
ΔH_f, kcal/mol:	-110.89
Dipole, Da:	4.71
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxy-4-[6-(4-hexylphenyl)hex-3-en-1,5-diynyl]benzene

Drug info:

PubChemData

Smile

COC(=C)CCCCC(=O)N1CCC(CC1)CC(=O)N2CCC(CC2)[C@@H]3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)Cl

DOS

IR

Vibrations