Geometry & MOs

Info

ID:	264394
PubChem CID:	103458965
Reduced:	OC11H18 (1)
Stoich.:	AB11C18 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-48.67
Dipole, Da:	3.23
IP(EA), eV:	-9.6(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-(2-propyl-1,2,4-triazol-3-yl)propane-1,2-diol

Drug info:

PubChemData

Smile

CCC(=CC(=O)C1CCC1)CC

DOS

IR

Vibrations