Geometry & MOs

Info

ID:	207539
PubChem CID:	80411380
Reduced:	ON5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	243.183444
ΔH_f, kcal/mol:	77.29
Dipole, Da:	5.26
IP(EA), eV:	-8.52(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-methoxy-3-methylbutan-2-ol

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C#N)C(=O)C2=NNC(=C2N)C3CC3

DOS

IR

Vibrations