Geometry & MOs

Info

ID:	436597
PubChem CID:	135205891
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	274.19328
ΔH_f, kcal/mol:	0.61
Dipole, Da:	5.98
IP(EA), eV:	-8.69(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,4R)-3-[(2-methylphenyl)methoxymethyl]-1-propan-2-yl-7-oxabicyclo[2.2.1]heptane

Drug info:

PubChemData

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COC1=CC=CC(=C1)C2=C3CCN(C3=CC=C2)C(=O)C4CCCN4C#N

DOS

IR

Vibrations