Geometry & MOs

Info

ID:	274837
PubChem CID:	103811952
Reduced:	OSN2C13H26 (1)
Stoich.:	ABC2D13E26 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-90.57
Dipole, Da:	3.16
IP(EA), eV:	-8.62(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azetidin-3-yl)-N-(3-methylsulfanylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1CCCC(C1)SC)N

DOS

IR

Vibrations