Geometry & MOs

Info

ID:	392105
PubChem CID:	135013006
Reduced:	O2C25H30 (1)
Stoich.:	A2B25C30 (1)
Weight, g/mol:	278.167065
ΔH_f, kcal/mol:	19.14
Dipole, Da:	3.06
IP(EA), eV:	-8.98(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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(=C=CCCCC#CC1=CC=CC=C1)CCCCC#C

DOS

IR

Vibrations