Geometry & MOs

Info

ID:	143326
PubChem CID:	53189934
Reduced:	OF3N6H17C19 (1)
Stoich.:	AB3C6D17E19 (1)
Weight, g/mol:	354.12628
ΔH_f, kcal/mol:	-75.44
Dipole, Da:	6.38
IP(EA), eV:	-8.47(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CN=CN=C2N3C=C(C=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations