Geometry & MOs

Info

ID:	201373
PubChem CID:	79529618
Reduced:	N5H11C12 (1)
Stoich.:	A5B11C12 (1)
Weight, g/mol:	251.081853
ΔH_f, kcal/mol:	115.28
Dipole, Da:	3.0
IP(EA), eV:	-8.96(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-fluoro-2-nitroanilino)methyl]-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=N2)CN3C=C(N=N3)N

DOS

IR

Vibrations