Geometry & MOs

Info

ID:	174209
PubChem CID:	75740652
Reduced:	ON2C17H37 (1)
Stoich.:	AB2C17D37 (1)
Weight, g/mol:	427.331111
ΔH_f, kcal/mol:	-72.61
Dipole, Da:	2.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752355
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(1-methylimidazolidin-2-yl)methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)C[NH+]1CCN(C(C1)CCO)CCC(C)C

DOS

IR

Vibrations