Geometry & MOs

Info

ID:	253137
PubChem CID:	103116269
Reduced:	FON5H10C13 (1)
Stoich.:	ABC5D10E13 (1)
Weight, g/mol:	234.091689
ΔH_f, kcal/mol:	17.93
Dipole, Da:	5.63
IP(EA), eV:	-9.02(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-5-fluorophenyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)NC(=O)C2=C3C=NC=CN3N=C2)N

DOS

IR

Vibrations