Geometry & MOs

Info

ID:	83839
PubChem CID:	49861682
Reduced:	ClO4N6C26H37 (1)
Stoich.:	AB4C6D26E37 (1)
Weight, g/mol:	407.387563
ΔH_f, kcal/mol:	-170.01
Dipole, Da:	3.72
IP(EA), eV:	-8.55(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)CN7CCN(CC7)C.Cl

DOS

IR

Vibrations