Geometry & MOs

Info

ID:	247988
PubChem CID:	103077960
Reduced:	BrN4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	220.112425
ΔH_f, kcal/mol:	73.41
Dipole, Da:	5.11
IP(EA), eV:	-8.46(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2=CC(=CC=C2)Br)N

DOS

IR

Vibrations