Geometry & MOs

Info

ID:	287354
PubChem CID:	104238657
Reduced:	ClN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	280.123008
ΔH_f, kcal/mol:	-74.38
Dipole, Da:	3.81
IP(EA), eV:	-9.12(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorophenyl]ethanol

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)COC2=C(C=C(C=C2)[C@@H](C)O)Cl

DOS

IR

Vibrations