Geometry & MOs

Info

ID:	133202
PubChem CID:	51492662
Reduced:	ON5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	346.213067
ΔH_f, kcal/mol:	45.38
Dipole, Da:	6.31
IP(EA), eV:	-9.68(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)methyl-[(3-methylimidazol-4-yl)methyl]-[[(2S)-oxolan-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

C1CCC(C1)[C@@H](C2=CC=CC=C2)C(=O)NCC3=NC(=NN3)C4=CC=NC=C4

DOS

IR

Vibrations