Geometry & MOs

Info

ID:	27492
PubChem CID:	821620
Reduced:	OSN3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	309.020245
ΔH_f, kcal/mol:	35.67
Dipole, Da:	2.41
IP(EA), eV:	-9.58(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2,2,2-trichloro-1-(pyridin-3-ylmethylamino)ethyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2=NN=CS2

DOS

IR

Vibrations