Geometry & MOs

Info

ID:	396688
PubChem CID:	135029035
Reduced:	O3H22C25 (2)
Stoich.:	A3B22C25 (2)
Weight, g/mol:	330.125594
ΔH_f, kcal/mol:	155.7
Dipole, Da:	0.73
IP(EA), eV:	-9.6(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1,7-diphenyl-4-propan-2-ylhepta-2,5-diyne-1,7-dione

Drug info:

PubChemData

Smile

CC(C)C1(C#CC(C#CC(C#CC(C#CC(C#CC(C#C1)(C2=CC=CC=C2)O)(C3=CC=CC=C3)OC)(C(C)C)O)(C4=CC=CC=C4)OC)(C5=CC=CC=C5)O)O

DOS

IR

Vibrations