Geometry & MOs

Info

ID:	383558
PubChem CID:	134975345
Reduced:	N2O3C8H14 (2)
Stoich.:	A2B3C8D14 (2)
Weight, g/mol:	298.156895
ΔH_f, kcal/mol:	-194.55
Dipole, Da:	1.45
IP(EA), eV:	-8.74(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-5,10-dimethoxy-1-methyl-3-prop-2-enyl-3,4-dihydro-1H-benzo[g]isochromene

Drug info:

PubChemData

Smile

COC(=O)CC/C(=N\O)/CN1CCN(CC1)C/C(=N\O)/CCC(=O)OC

DOS

IR

Vibrations