Geometry & MOs

Info

ID:	440500
PubChem CID:	135230486
Reduced:	NOC10H21 (1)
Stoich.:	ABC10D21 (1)
Weight, g/mol:	540.392708
ΔH_f, kcal/mol:	-30.32
Dipole, Da:	2.53
IP(EA), eV:	-8.91(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[4-[6-[cyclohexyl(2-methylpropanoyloxy)methyl]piperidin-3-yl]phenyl]-piperidin-2-ylmethyl] 2-methylbutanoate

Drug info:

PubChemData

Smile

CCCCC(C)(CCCC)N=O

DOS

IR

Vibrations