Geometry & MOs

Info

ID:	39342
PubChem CID:	8140377
Reduced:	OSN2C18H23 (1)
Stoich.:	ABC2D18E23 (1)
Weight, g/mol:	369.148214
ΔH_f, kcal/mol:	21.88
Dipole, Da:	1.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.012954
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CSC2=CC=CC=C2

DOS

IR

Vibrations