Geometry & MOs

Info

ID:	26944
PubChem CID:	804598
Reduced:	O2F3N3C12H12 (1)
Stoich.:	A2B3C3D12E12 (1)
Weight, g/mol:	249.055656
ΔH_f, kcal/mol:	-188.88
Dipole, Da:	3.71
IP(EA), eV:	-9.97(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloroanilino)-1-(furan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC1=NN([C@@](C1)(C(F)(F)F)O)C(=O)C2=CN=CC=C2

DOS

IR

Vibrations