Geometry & MOs

Info

ID:	220850
PubChem CID:	85240177
Reduced:	O3C17H26 (1)
Stoich.:	A3B17C26 (1)
Weight, g/mol:	278.188195
ΔH_f, kcal/mol:	-160.88
Dipole, Da:	5.87
IP(EA), eV:	-9.68(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6,8-di(propan-2-yloxy)-3,4-dihydro-1H-isochromene

Drug info:

PubChemData

Smile

CC12CCC3C4(CC(CC3(C1CCO2)C)C(=O)OC4)C

DOS

IR

Vibrations