Geometry & MOs

Info

ID:	139943
PubChem CID:	52620145
Reduced:	OS2N6H12C16 (1)
Stoich.:	AB2C6D12E16 (1)
Weight, g/mol:	356.270188
ΔH_f, kcal/mol:	135.41
Dipole, Da:	3.34
IP(EA), eV:	-8.97(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-4-(1H-indol-3-yl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC=CS3)N4C=NN=N4

DOS

IR

Vibrations