Geometry & MOs

Info

ID:	285423
PubChem CID:	104104330
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	291.015449
ΔH_f, kcal/mol:	-49.21
Dipole, Da:	4.16
IP(EA), eV:	-9.07(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(oxazinan-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)C(=O)N3CCCCO3

DOS

IR

Vibrations