Geometry & MOs

Info

ID:	253119
PubChem CID:	103116150
Reduced:	FON4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	234.091689
ΔH_f, kcal/mol:	0.96
Dipole, Da:	2.23
IP(EA), eV:	-8.24(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2-fluorophenyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C(=O)NC3=C(C=C(C=C3)N)F

DOS

IR

Vibrations