Geometry & MOs

Info

ID:	416190
PubChem CID:	135089200
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-126.79
Dipole, Da:	6.42
IP(EA), eV:	-8.84(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-7-methyl-9-[(2-methylpyrimidin-5-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C(=O)C4=C(N=C5CCCC5=C4)OC)OCC2

DOS

IR

Vibrations