Geometry & MOs

Info

ID:	426517
PubChem CID:	135144576
Reduced:	O5C16H34 (1)
Stoich.:	A5B16C34 (1)
Weight, g/mol:	444.298808
ΔH_f, kcal/mol:	-298.5
Dipole, Da:	3.86
IP(EA), eV:	-10.76(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexylpyrrolidin-1-yl)-[4-[1-(2,3-dihydroxybutyl)piperidin-4-yl]oxyphenyl]methanone

Drug info:

PubChemData

Smile

CCCCO.CCCCOC(=O)CCC.CCCC(=O)O

DOS

IR

Vibrations