Geometry & MOs

Info

ID:	37836
PubChem CID:	8024982
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	373.320546
ΔH_f, kcal/mol:	12.26
Dipole, Da:	3.22
IP(EA), eV:	-8.64(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]azanium

Drug info:

PubChemData

Smile

C1COCCN1C[C@H](CNCC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)O

DOS

IR

Vibrations