Geometry & MOs

Info

ID:	220250
PubChem CID:	85177070
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-126.78
Dipole, Da:	2.85
IP(EA), eV:	-10.35(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-8-methyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

Drug info:

PubChemData

Smile

CC1(CC2CC(=C3C2(C1)CC(=O)OC3)C=O)C

DOS

IR

Vibrations