Geometry & MOs

Info

ID:	285414
PubChem CID:	104104300
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	243.046234
ΔH_f, kcal/mol:	-26.14
Dipole, Da:	3.07
IP(EA), eV:	-9.15(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-fluorophenyl)-(oxazinan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCON(C1)C(=O)C2C3C2C4=CC=CC=C4CC3

DOS

IR

Vibrations