Geometry & MOs

Info

ID:	51100
PubChem CID:	12013724
Reduced:	OH14C20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	296.120115
ΔH_f, kcal/mol:	59.12
Dipole, Da:	0.56
IP(EA), eV:	-8.39(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,11S)-7-ethenyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=CC3=C(O2)C=CC4=CC=CC=C43

DOS

IR

Vibrations