Geometry & MOs

Info

ID:	139663
PubChem CID:	52576464
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	425.125907
ΔH_f, kcal/mol:	-9.66
Dipole, Da:	9.9
IP(EA), eV:	-8.47(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[4-[2-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]-1H-imidazo[1,2-a]pyridin-4-ium

Drug info:

PubChemData

Smile

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)N2CCOC3=CC=CC=C32)C

DOS

IR

Vibrations