Geometry & MOs

Info

ID:	396689
PubChem CID:	135029036
Reduced:	O3H18C22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	334.156895
ΔH_f, kcal/mol:	31.53
Dipole, Da:	2.76
IP(EA), eV:	-10.03(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,7-diphenyl-4-propan-2-ylhepta-2,5-diyne-1,4,7-triol

Drug info:

PubChemData

Smile

CC(C)C(C#CC(=O)C1=CC=CC=C1)(C#CC(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations