Geometry & MOs

Info

ID:	405065
PubChem CID:	135072386
Reduced:	OH14C15 (2)
Stoich.:	AB14C15 (2)
Weight, g/mol:	392.17763
ΔH_f, kcal/mol:	64.28
Dipole, Da:	2.5
IP(EA), eV:	-8.93(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(4-methylphenyl)-1,3-diphenylhepta-1,6-diyn-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC(CCC#CC1=CC=CC=C1)(C#CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations