Geometry & MOs

Info

ID:	326280
PubChem CID:	126687271
Reduced:	ClFON6C19H22 (1)
Stoich.:	ABCD6E19F22 (1)
Weight, g/mol:	384.207388
ΔH_f, kcal/mol:	-19.02
Dipole, Da:	4.83
IP(EA), eV:	-8.2(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CNC(=O)[C@H]1CCCCC1NC2=NC(=NC=C2F)C3=CNC4C3=CC(=CN4)Cl

DOS

IR

Vibrations