Geometry & MOs

Info

ID:	133412
PubChem CID:	51523587
Reduced:	SO3N6C23H36 (1)
Stoich.:	AB3C6D23E36 (1)
Weight, g/mol:	322.285838
ΔH_f, kcal/mol:	-105.14
Dipole, Da:	4.67
IP(EA), eV:	-9.15(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(4-piperidin-1-ium-1-ylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)C(=O)NNC(=O)CSC2=NN=C3N2C4CCCCC4C(=O)N3CC(C)C

DOS

IR

Vibrations