Geometry & MOs

Info

ID:	431256
PubChem CID:	135171327
Reduced:	ION3F4H8C15 (1)
Stoich.:	ABC3D4E8F15 (1)
Weight, g/mol:	338.079074
ΔH_f, kcal/mol:	-114.12
Dipole, Da:	5.75
IP(EA), eV:	-9.27(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoropyridin-2-yl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)N2C(=C(C=N2)C3=CC=C(C=C3)OC(F)(F)F)I)F

DOS

IR

Vibrations