Geometry & MOs

Info

ID:	344218
PubChem CID:	127267394
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	223.08087
ΔH_f, kcal/mol:	-6.65
Dipole, Da:	3.97
IP(EA), eV:	-8.91(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-3-(2-fluorophenyl)azetidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1CC(N(C1)C(=O)C=C)C2=NC=C(N2)C3=CN=CC=C3

DOS

IR

Vibrations