Geometry & MOs

Info

ID:	293901
PubChem CID:	117414029
Reduced:	ClNF3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	263.08254
ΔH_f, kcal/mol:	-142.59
Dipole, Da:	0.84
IP(EA), eV:	-9.09(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-chloro-2-cyclobutyloxyphenyl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

C1CNCCC1CC2=C(C(=C(C=C2F)F)Cl)F

DOS

IR

Vibrations