Geometry & MOs

Info

ID:	127567
PubChem CID:	51006692
Reduced:	ClO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	346.169271
ΔH_f, kcal/mol:	-74.53
Dipole, Da:	4.08
IP(EA), eV:	-9.01(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S,4S)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C[C@H]([C@H]2C3=C(C[C@@H]1C24OCCO4)C=C(C=C3)Cl)O

DOS

IR

Vibrations