Geometry & MOs

Info

ID:	287440
PubChem CID:	104242306
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	-44.71
Dipole, Da:	1.4
IP(EA), eV:	-9.75(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-ol

Drug info:

PubChemData

Smile

C1CCC(C1)C(CCC2=CC=CC=N2)O

DOS

IR

Vibrations