Geometry & MOs

Info

ID:	205682
PubChem CID:	80133710
Reduced:	ClN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	296.140389
ΔH_f, kcal/mol:	-46.26
Dipole, Da:	3.08
IP(EA), eV:	-8.83(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol

Drug info:

PubChemData

Smile

CC(C)C1=NN(C(=C1C(C2=CC=C(C=C2)OC)O)Cl)C

DOS

IR

Vibrations