Geometry & MOs

Info

ID:	378819
PubChem CID:	134224920
Reduced:	N7H15C16 (1)
Stoich.:	A7B15C16 (1)
Weight, g/mol:	452.160615
ΔH_f, kcal/mol:	128.97
Dipole, Da:	7.21
IP(EA), eV:	-9.29(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-methylsulfanyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)NC2=NC(=NC=C2)C3=C4C=CNC4=NC=N3

DOS

IR

Vibrations