Geometry & MOs

Info

ID:	261093
PubChem CID:	103217067
Reduced:	ClF3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	453.89445
ΔH_f, kcal/mol:	-282.88
Dipole, Da:	3.72
IP(EA), eV:	-8.79(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-propylpyrazol-3-yl)-(3-chloro-4-iodophenyl)methanol

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CC(COCC(F)(F)F)O)Cl

DOS

IR

Vibrations