Geometry & MOs

Info

ID:	280826
PubChem CID:	103851496
Reduced:	F3N4C13H21 (1)
Stoich.:	A3B4C13D21 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-140.16
Dipole, Da:	4.34
IP(EA), eV:	-9.2(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,6-dimethylphenol

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)CNC2CCN(CC2)CC(F)(F)F

DOS

IR

Vibrations