Geometry & MOs

Info

ID:	230286
PubChem CID:	87570583
Reduced:	ClFON3H13C16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	425.105879
ΔH_f, kcal/mol:	7.52
Dipole, Da:	5.9
IP(EA), eV:	-8.79(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopenta[b]pyrrol-4-yl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=NN=C(C3=C2C(=CC=C3)F)Cl)N

DOS

IR

Vibrations