Geometry & MOs

Info

ID:	43779
PubChem CID:	10321781
Reduced:	F3O3N5C21H28 (1)
Stoich.:	A3B3C5D21E28 (1)
Weight, g/mol:	455.185649
ΔH_f, kcal/mol:	-206.06
Dipole, Da:	7.35
IP(EA), eV:	-8.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamate

Drug info:

PubChemData

Smile

CC(=NNC1=NN=C(C=C1)OCC(C)(C)NCC(COC2=CC=CC=C2C(F)(F)F)O)C

DOS

IR

Vibrations