Geometry & MOs

Info

ID:	386090
PubChem CID:	134980747
Reduced:	OF3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	314.22458
ΔH_f, kcal/mol:	-178.77
Dipole, Da:	2.75
IP(EA), eV:	-9.43(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,3aR)-3a,5a-dimethyl-3-propan-2-yl-3,4,5,6,7,8-hexahydrobenzo[f]azulene-9-carboxylate

Drug info:

PubChemData

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

DOS

IR

Vibrations