Geometry & MOs

Info

ID:	248138
PubChem CID:	103079231
Reduced:	BrFON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	169.085127
ΔH_f, kcal/mol:	0.06
Dipole, Da:	3.97
IP(EA), eV:	-8.66(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(oxetan-3-yloxy)pyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)OC2=C(C=CC(=C2)Br)F)N

DOS

IR

Vibrations