Geometry & MOs

Info

ID:	65286
PubChem CID:	29211904
Reduced:	OSN6C29H32 (1)
Stoich.:	ABC6D29E32 (1)
Weight, g/mol:	342.254538
ΔH_f, kcal/mol:	82.86
Dipole, Da:	8.22
IP(EA), eV:	-8.43(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-(3-phenylpropyl)piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)NN=C(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations