Geometry & MOs

Info

ID:	381959
PubChem CID:	134972835
Reduced:	O3C18H28 (1)
Stoich.:	A3B18C28 (1)
Weight, g/mol:	300.149222
ΔH_f, kcal/mol:	-163.1
Dipole, Da:	4.68
IP(EA), eV:	-9.16(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7R,10aS)-6a-chloro-7-(hydroxymethyl)-3a,4,7-trimethyl-4,5,6,8,9,10-hexahydro-3H-benzo[h][1]benzofuran-2-one

Drug info:

PubChemData

Smile

CC1CCC2=C([C@@]1(C)CC=O)CCC[C@]2(C)COC(=O)C

DOS

IR

Vibrations