Geometry & MOs

Info

ID:	48463
PubChem CID:	10585611
Reduced:	NO4C11H21 (1)
Stoich.:	AB4C11D21 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-205.01
Dipole, Da:	2.06
IP(EA), eV:	-9.44(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3aS,8aR,9R,9aR)-9-ethenyl-1-methyl-3a,5,6,7,8,8a,9,9a-octahydro-1H-benzo[f][2]benzofuran-3-one

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@@H]2[C@H](OC(O2)(C)C)CN)C

DOS

IR

Vibrations