Geometry & MOs

Info

ID:	255126
PubChem CID:	103130154
Reduced:	ClN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-61.89
Dipole, Da:	3.11
IP(EA), eV:	-8.76(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-1-(1-methylpyrazol-3-yl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C(C(=C(C=C2)OC)OC)Cl)O

DOS

IR

Vibrations