Geometry & MOs

Info

ID:	83842
PubChem CID:	49861690
Reduced:	O2N3C31H59 (1)
Stoich.:	A2B3C31D59 (1)
Weight, g/mol:	503.38537
ΔH_f, kcal/mol:	-151.51
Dipole, Da:	0.92
IP(EA), eV:	-8.33(2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations