Geometry & MOs

Info

ID:	287650
PubChem CID:	104250263
Reduced:	ClN2O2C13H21 (1)
Stoich.:	AB2C2D13E21 (1)
Weight, g/mol:	210.136828
ΔH_f, kcal/mol:	-95.48
Dipole, Da:	2.89
IP(EA), eV:	-8.95(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpyrazol-3-yl)-2-(oxan-2-yl)ethanol

Drug info:

PubChemData

Smile

CC1=NN(C(=C1Cl)CC(CC2CCCCO2)O)C

DOS

IR

Vibrations