Geometry & MOs

Info

ID:	299756
PubChem CID:	117689181
Reduced:	N3Cl4H7C12 (1)
Stoich.:	A3B4C7D12 (1)
Weight, g/mol:	377.128803
ΔH_f, kcal/mol:	65.0
Dipole, Da:	1.51
IP(EA), eV:	-9.23(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-2-(4-nitrophenyl)-5-pyridin-4-yl-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

C1=CN=CC=C1C(=NNC2=C(C=C(C=C2Cl)Cl)Cl)Cl

DOS

IR

Vibrations