Geometry & MOs

Info

ID:	53587
PubChem CID:	14716804
Reduced:	ClO5C35H43 (1)
Stoich.:	AB5C35D43 (1)
Weight, g/mol:	390.234751
ΔH_f, kcal/mol:	-207.68
Dipole, Da:	2.82
IP(EA), eV:	-8.57(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis[2-(4-butylphenyl)ethynyl]benzene

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)OC(=O)C(C(C)CC)Cl

DOS

IR

Vibrations