Geometry & MOs

Info

ID:	205684
PubChem CID:	80133712
Reduced:	ClOSN2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	286.144806
ΔH_f, kcal/mol:	-4.58
Dipole, Da:	3.29
IP(EA), eV:	-8.82(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC(C)C1=NN(C(=C1C(CC2=CSC=C2)O)Cl)C

DOS

IR

Vibrations