Geometry & MOs

Info

ID:	146446
PubChem CID:	53690436
Reduced:	O2H7C10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	458.391252
ΔH_f, kcal/mol:	-38.06
Dipole, Da:	5.59
IP(EA), eV:	-9.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

19-nonylnonacyclo[10.9.1.13,10.15,8.115,18.02,11.04,9.013,21.014,19]pentacos-16-ene

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=O)OC2=CC=CC=C2OC3=CC=CC=C3C=O

DOS

IR

Vibrations