Geometry & MOs

Info

ID:	387671
PubChem CID:	134986402
Reduced:	N2O2Cl3C9H15 (1)
Stoich.:	A2B2C3D9E15 (1)
Weight, g/mol:	131.074642
ΔH_f, kcal/mol:	-80.3
Dipole, Da:	6.96
IP(EA), eV:	-8.34(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(dimethylamino)-4-fluorobut-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)O/C(=C(\N(C)C)/Cl)/C(=[N+](C)C)Cl.[Cl-]

DOS

IR

Vibrations