Geometry & MOs

Info

ID:	395080
PubChem CID:	135024615
Reduced:	O3C25H30 (1)
Stoich.:	A3B25C30 (1)
Weight, g/mol:	348.187801
ΔH_f, kcal/mol:	-63.45
Dipole, Da:	2.87
IP(EA), eV:	-8.98(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,4-tris(hepta-1,6-diyn-4-yl)benzene

Drug info:

PubChemData

Smile

CC1(COC1)COCC2=CC3=C(CC(C3)COCC4=CC=C(C=C4)C=C)C=C2

DOS

IR

Vibrations