Geometry & MOs

Info

ID:	53422
PubChem CID:	14715877
Reduced:	H11C15 (2)
Stoich.:	A11B15 (2)
Weight, g/mol:	438.234751
ΔH_f, kcal/mol:	175.98
Dipole, Da:	0.05
IP(EA), eV:	-9.02(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[1,6,6-tris(4-methylphenyl)hexa-1,5-dien-3-ynyl]benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=CC#CC=C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations