Geometry & MOs

Info

ID:	293295
PubChem CID:	117383049
Reduced:	BrON3H6C9 (1)
Stoich.:	ABC3D6E9 (1)
Weight, g/mol:	252.065868
ΔH_f, kcal/mol:	33.24
Dipole, Da:	2.14
IP(EA), eV:	-8.94(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-fluoro-2-methoxy-5-nitrophenyl)-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

C1=CC2=NNC(=C2C(=C1)CN=C=O)Br

DOS

IR

Vibrations