Geometry & MOs

Info

ID:	175693
PubChem CID:	75938077
Reduced:	ClN2O3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	447.333516
ΔH_f, kcal/mol:	-141.61
Dipole, Da:	3.87
IP(EA), eV:	-9.04(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-(cyclohexylmethyl)piperidin-1-ium-4-yl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)N2CCCC(C2)C(=O)NC3CCCCC3

DOS

IR

Vibrations