Geometry & MOs

Info

ID:	220442
PubChem CID:	85195373
Reduced:	O3C12H22 (1)
Stoich.:	A3B12C22 (1)
Weight, g/mol:	214.172151
ΔH_f, kcal/mol:	-159.66
Dipole, Da:	1.4
IP(EA), eV:	-9.73(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tricyclo[9.2.2.14,8]hexadeca-1(14),11(15),12-triene

Drug info:

PubChemData

Smile

CC(=C)C(C)(C)C(C1COC(O1)(C)C)O

DOS

IR

Vibrations