Geometry & MOs

Info

ID:	386019
PubChem CID:	134980545
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	363.240959
ΔH_f, kcal/mol:	-131.44
Dipole, Da:	4.61
IP(EA), eV:	-9.65(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,7R,7aS)-7-methoxy-2,5-dimethyl-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

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CC1=CC[C@@]2([C@H](C1)C(=O)C=C(C2=O)OC)OC

DOS

IR

Vibrations