Geometry & MOs

Info

ID:	160450
PubChem CID:	57309798
Reduced:	ClSO3N4C12H19 (1)
Stoich.:	ABC3D4E12F19 (1)
Weight, g/mol:	221.121592
ΔH_f, kcal/mol:	-133.04
Dipole, Da:	5.22
IP(EA), eV:	-8.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(dimethylamino)-4-(4-fluorophenyl)pent-4-en-2-one

Drug info:

PubChemData

Smile

CCCCC(OC1=NSC(=C1C(=O)N)NC(=O)N(C)C)Cl

DOS

IR

Vibrations