Geometry & MOs

Info

ID:	426618
PubChem CID:	135152282
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	227.05132
ΔH_f, kcal/mol:	-159.67
Dipole, Da:	12.79
IP(EA), eV:	-9.49(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azetidin-1-yl-[4-(chloromethyl)-3-fluorophenyl]methanone

Drug info:

PubChemData

Smile

C1CC(CC1COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3)NC(=O)O

DOS

IR

Vibrations