Geometry & MOs

Info

ID:	133766
PubChem CID:	51587605
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	344.233802
ΔH_f, kcal/mol:	62.05
Dipole, Da:	1.95
IP(EA), eV:	-9.26(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)CC2=NC(=NO2)C3=CC=CC(=C3)C4=NC(=NC=C4)C)C

DOS

IR

Vibrations