Geometry & MOs

Info

ID:	146264
PubChem CID:	53661324
Reduced:	OCl2N4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	216.035335
ΔH_f, kcal/mol:	-10.69
Dipole, Da:	7.56
IP(EA), eV:	-9.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-fluorophenyl) 4-chlorobutanoate

Drug info:

PubChemData

Smile

CC1([C@@H]([C@H]1C(=O)N=C(N)N)C2=CC(=NC(=C2)Cl)Cl)C

DOS

IR

Vibrations