Geometry & MOs

Info

ID:	76220
PubChem CID:	48424612
Reduced:	FNO3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	253.167794
ΔH_f, kcal/mol:	-148.09
Dipole, Da:	4.29
IP(EA), eV:	-9.38(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCOC2=C1C=C(C=C2)F)OCC3CC3

DOS

IR

Vibrations