Geometry & MOs

Info

ID:	420239
PubChem CID:	135112003
Reduced:	NO4C19H29 (1)
Stoich.:	AB4C19D29 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-170.64
Dipole, Da:	2.86
IP(EA), eV:	-9.08(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,5R)-6-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethanone

Drug info:

PubChemData

Smile

CCOCCOC1=CC=CC=C1C(=O)N2CCOCC2CC(C)C

DOS

IR

Vibrations