Geometry & MOs

Info

ID:	353317
PubChem CID:	127284646
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	329.177313
ΔH_f, kcal/mol:	-41.47
Dipole, Da:	4.73
IP(EA), eV:	-8.83(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butanoyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1COCCN1CCNC(=O)C2=CC(=CC3=C2NN=C3)C

DOS

IR

Vibrations