Geometry & MOs

Info

ID:	201514
PubChem CID:	79550110
Reduced:	ON4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	294.138658
ΔH_f, kcal/mol:	7.45
Dipole, Da:	5.11
IP(EA), eV:	-9.03(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bicyclo[2.2.1]heptanylmethyl)-2-(4-chlorophenyl)propane-1,3-diol

Drug info:

PubChemData

Smile

COCCNCC1=CN(N=N1)CC2CC3CCC2C3

DOS

IR

Vibrations