Geometry & MOs

Info

ID:	366847
PubChem CID:	127320535
Reduced:	NOC13H25 (1)
Stoich.:	ABC13D25 (1)
Weight, g/mol:	256.124549
ΔH_f, kcal/mol:	-94.71
Dipole, Da:	4.02
IP(EA), eV:	-9.16(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-methylazepan-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)CC(C)(C)C

DOS

IR

Vibrations