Geometry & MOs

Info

ID:	167172
PubChem CID:	74790585
Reduced:	ON5C24H39 (1)
Stoich.:	AB5C24D39 (1)
Weight, g/mol:	410.222586
ΔH_f, kcal/mol:	87.23
Dipole, Da:	46.01
IP(EA), eV:	-3.65(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[[3-(2-methylpropyl)-2-(oxolan-2-ylmethylsulfonyl)imidazol-4-yl]methyl]-[(5-methyl-1H-pyrazol-3-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC[NH+]1CCCC1CNC(=O)CCC2CC[NH+](CC2)CC3=NC4=CC=CC=C4N3C

DOS

IR

Vibrations