Geometry & MOs

Info

ID:	83841
PubChem CID:	49861689
Reduced:	ClO2N3C31H60 (1)
Stoich.:	AB2C3D31E60 (1)
Weight, g/mol:	505.460728
ΔH_f, kcal/mol:	-198.45
Dipole, Da:	6.04
IP(EA), eV:	-8.68(1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-[3-[4-[8-(cyclohexylmethoxy)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]cyclohexyl]oxypropyl]butan-1-amine

Drug info:

PubChemData

Smile

CCCCN(CCCC)CCCOC1CCC(CC1)C2CN3CCCC(C3N2)OCC4CCCCC4.Cl

DOS

IR

Vibrations