Geometry & MOs

Info

ID:	172571
PubChem CID:	75526056
Reduced:	NCl2S2O5H13C14 (1)
Stoich.:	AB2C2D5E13F14 (1)
Weight, g/mol:	335.187674
ΔH_f, kcal/mol:	-150.65
Dipole, Da:	1.57
IP(EA), eV:	-8.72(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(=O)NS(=O)(=O)C2=C(SC(=C2)Cl)Cl)OC

DOS

IR

Vibrations