Geometry & MOs

Info

ID:	326269
PubChem CID:	126687258
Reduced:	ON3C6H13 (1)
Stoich.:	AB3C6D13 (1)
Weight, g/mol:	368.176087
ΔH_f, kcal/mol:	-53.01
Dipole, Da:	4.7
IP(EA), eV:	-9.5(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CNC(=O)N1CCCC1N

DOS

IR

Vibrations