Geometry & MOs

Info

ID:	70730
PubChem CID:	48413785
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	353.165188
ΔH_f, kcal/mol:	-52.88
Dipole, Da:	5.32
IP(EA), eV:	-9.43(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC(C(=O)NCC1=C(NN=C1)C)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations