Geometry & MOs

Info

ID:	326189
PubChem CID:	126687025
Reduced:	ClFON6C22H28 (1)
Stoich.:	ABCD6E22F28 (1)
Weight, g/mol:	372.146537
ΔH_f, kcal/mol:	-38.21
Dipole, Da:	6.14
IP(EA), eV:	-8.67(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanol

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCC[C@@H]1CNC2=NC(=NC=C2F)C3=CNC4=NC=C(C(C34)C)Cl

DOS

IR

Vibrations