Geometry & MOs

Info

ID:	285434
PubChem CID:	104104476
Reduced:	N2O3C9H16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	287.079156
ΔH_f, kcal/mol:	-121.15
Dipole, Da:	1.75
IP(EA), eV:	-9.32(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-difluorophenyl)sulfanyl-1-(oxazinan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCO1)NC(=O)C

DOS

IR

Vibrations