Geometry & MOs

Info

ID:	264396
PubChem CID:	103459055
Reduced:	ClOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	294.230728
ΔH_f, kcal/mol:	-112.99
Dipole, Da:	1.35
IP(EA), eV:	-9.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propane-1,2-diol

Drug info:

PubChemData

Smile

C1CCC(CC1)C(C(C2=C(C=CC(=C2)Cl)Cl)O)O

DOS

IR

Vibrations