Geometry & MOs

Info

ID:	343043
PubChem CID:	127266216
Reduced:	BrFN3O3C12H13 (1)
Stoich.:	ABC3D3E12F13 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-77.01
Dipole, Da:	2.62
IP(EA), eV:	-9.37(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-methoxy-6-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=CC(=C2Br)F)[N+](=O)[O-])C(=O)N

DOS

IR

Vibrations