Geometry & MOs

Info

ID:	384796
PubChem CID:	134977683
Reduced:	CH (21)
Stoich.:	AB (21)
Weight, g/mol:	431.179976
ΔH_f, kcal/mol:	108.31
Dipole, Da:	0.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.123503
Charge, e:	1

Chem-info

IUPAC name:

[2-[4-(2,3-diphenylcycloprop-2-en-1-yl)buta-1,3-diynyl]-3-phenylcyclopropyl]benzene

Drug info:

PubChemData

Smile

CCCCC#CC1C([C+]1C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations