Geometry & MOs

Info

ID:	378795
PubChem CID:	134224895
Reduced:	SO3N6C17H20 (1)
Stoich.:	AB3C6D17E20 (1)
Weight, g/mol:	304.143645
ΔH_f, kcal/mol:	-26.42
Dipole, Da:	5.38
IP(EA), eV:	-8.88(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CC(C1)(CC(=O)N)N2C=C(C=N2)C3=C4C=CNC4=NC=C3

DOS

IR

Vibrations