Geometry & MOs

Info

ID:	326272
PubChem CID:	126687262
Reduced:	FON7C23H24 (1)
Stoich.:	ABC7D23E24 (1)
Weight, g/mol:	384.207388
ΔH_f, kcal/mol:	32.11
Dipole, Da:	3.28
IP(EA), eV:	-7.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[[[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

C1C[C@H](N(C1)C(=O)NC2=CC=CC=C2)CNC3=NC(=NC=C3F)C4=CNC5C4=CC=CN5

DOS

IR

Vibrations