Geometry & MOs

Info

ID:	285428
PubChem CID:	104104348
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	282.067428
ΔH_f, kcal/mol:	-94.52
Dipole, Da:	3.58
IP(EA), eV:	-8.35(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylsulfanyl-3-nitrophenyl)-(oxazinan-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCCC(=O)N2CCCCO2)C

DOS

IR

Vibrations