Geometry & MOs

Info

ID:	53423
PubChem CID:	14715878
Reduced:	H15C17 (2)
Stoich.:	A15B17 (2)
Weight, g/mol:	494.297351
ΔH_f, kcal/mol:	135.82
Dipole, Da:	0.85
IP(EA), eV:	-8.54(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-1-[1,6,6-tris(2,4-dimethylphenyl)hexa-1,5-dien-3-ynyl]benzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=CC#CC=C(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C

DOS

IR

Vibrations