Geometry & MOs

Info

ID:	392170
PubChem CID:	135013527
Reduced:	OC13H14 (2)
Stoich.:	AB13C14 (2)
Weight, g/mol:	354.198365
ΔH_f, kcal/mol:	0.3
Dipole, Da:	2.39
IP(EA), eV:	-9.09(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenyl-1-(7-phenyl-6-bicyclo[3.2.0]hept-6-enyl)hept-6-yn-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations