Geometry & MOs

Info

ID:	248119
PubChem CID:	103079042
Reduced:	BrFON3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-0.83
Dipole, Da:	5.32
IP(EA), eV:	-8.65(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(5-methyl-2-propan-2-ylphenoxy)pyrazol-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations