Geometry & MOs

Info

ID:	32556
PubChem CID:	7843792
Reduced:	NCl2O3H15C20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	336.129236
ΔH_f, kcal/mol:	-77.21
Dipole, Da:	2.34
IP(EA), eV:	-9.04(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-(4-fluorophenyl)ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2COC(=O)CNC(=O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations