Geometry & MOs

Info

ID:	326224
PubChem CID:	126687198
Reduced:	ClFO2N5C17H17 (1)
Stoich.:	ABC2D5E17F17 (1)
Weight, g/mol:	361.121799
ΔH_f, kcal/mol:	-56.79
Dipole, Da:	4.27
IP(EA), eV:	-8.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-1-[(3S)-piperidin-3-yl]hydrazine

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H]1C(=O)O)NC2=NC(=NC=C2F)C3=CNC4C3=CC(=CN4)Cl

DOS

IR

Vibrations