Geometry & MOs

Info

ID:	167552
PubChem CID:	74845178
Reduced:	SN2O5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	400.296402
ΔH_f, kcal/mol:	-146.36
Dipole, Da:	2.38
IP(EA), eV:	-8.94(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-benzyl-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C3CS(=O)(=O)CC3N(CC2=O)CC4=CC5=C(C=C4)OCO5)C

DOS

IR

Vibrations