Geometry & MOs

Info

ID:	408486
PubChem CID:	135081252
Reduced:	ClN2O3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-18.51
Dipole, Da:	7.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.835156
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4R,6R)-6-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[N+]2=C(C(=O)ON2)CC(C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations