Geometry & MOs

Info

ID:	326405
PubChem CID:	126687484
Reduced:	N2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	30.81
Dipole, Da:	2.71
IP(EA), eV:	-8.42(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR)-3,6-dimethyl-2-oxo-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-yl] acetate

Drug info:

PubChemData

Smile

C/C(=C\C=C/C=C)/NCCN

DOS

IR

Vibrations