Geometry & MOs

Info

ID:	267881
PubChem CID:	103590067
Reduced:	FON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	248.143725
ΔH_f, kcal/mol:	-49.84
Dipole, Da:	4.0
IP(EA), eV:	-8.12(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-5-methyl-1-N-(1-pyrazol-1-ylpropan-2-yl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)N(C)CC2=CC=CC=C2OC

DOS

IR

Vibrations