Geometry & MOs

Info

ID:	247989
PubChem CID:	103077980
Reduced:	FN4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	240.057802
ΔH_f, kcal/mol:	17.64
Dipole, Da:	4.33
IP(EA), eV:	-8.26(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=NN(C=C2N)C)F

DOS

IR

Vibrations