Geometry & MOs

Info

ID:	248082
PubChem CID:	103078787
Reduced:	ON4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	274.01883
ΔH_f, kcal/mol:	-23.04
Dipole, Da:	3.96
IP(EA), eV:	-7.86(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(2,6-dichloro-4-fluorophenyl)-1-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CC1(CC(CCO1)NC2=NN(C=C2N)C)C

DOS

IR

Vibrations