Geometry & MOs

Info

ID:	402130
PubChem CID:	135054540
Reduced:	O4C11H14 (2)
Stoich.:	A4B11C14 (2)
Weight, g/mol:	322.178024
ΔH_f, kcal/mol:	-343.35
Dipole, Da:	3.32
IP(EA), eV:	-8.74(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (3aR,4Z,7E,9aS)-8-(methoxymethyl)-6-methyl-1,3,3a,6,9,9a-hexahydrocyclopenta[8]annulene-2,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C2CC(C[C@H]2[C@@H]3CC(CC3=C1C)(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations