Geometry & MOs

Info

ID:	441520
PubChem CID:	135235656
Reduced:	BrN2O2H13C17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	353.054274
ΔH_f, kcal/mol:	24.88
Dipole, Da:	3.39
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine

Drug info:

PubChemData

Smile

COC1=C(C=NC=C1)C2=C(N=CC=C2)OC3=CC=C(C=C3)Br

DOS

IR

Vibrations