Geometry & MOs

Info

ID:	385733
PubChem CID:	134979859
Reduced:	O5C14H14 (1)
Stoich.:	A5B14C14 (1)
Weight, g/mol:	360.266445
ΔH_f, kcal/mol:	-166.99
Dipole, Da:	4.28
IP(EA), eV:	-10.36(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3aS,5aR,9aR,9bS)-5a,9b-dimethyl-7-methylidene-2-(2-methylprop-1-enyl)-2,3a,4,5,6,8,9,9a-octahydro-1H-benzo[e][1]benzofuran-6-yl]propanoate

Drug info:

PubChemData

Smile

CC(=O)[C@]12[C@H](CC=C[C@H]1OC(=O)C)C(=O)C=CC2=O

DOS

IR

Vibrations