Geometry & MOs

Info

ID:	411426
PubChem CID:	135084253
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	-102.17
Dipole, Da:	1.49
IP(EA), eV:	-9.7(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethenyl-5-methylidene-2-bicyclo[2.2.2]octanyl)but-3-en-2-ol

Drug info:

PubChemData

Smile

COC(=O)C(C/C=C\CO)C1=CC=CC=C1

DOS

IR

Vibrations