Geometry & MOs

Info

ID:	410287
PubChem CID:	135083078
Reduced:	O3N4H12C13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	286.156895
ΔH_f, kcal/mol:	15.82
Dipole, Da:	5.77
IP(EA), eV:	-9.11(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8S,9S)-3-ethyl-5,9-dimethyl-6,7,8,9-tetrahydrobenzo[g][1]benzofuran-8-yl] acetate

Drug info:

PubChemData

Smile

CC(C)OC1=C(OC2=CC=CC=C21)C(=O)C3=NNN=N3

DOS

IR

Vibrations