Geometry & MOs

Info

ID:	436292
PubChem CID:	135198220
Reduced:	FNSO3C19H30 (1)
Stoich.:	ABCD3E19F30 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	-177.44
Dipole, Da:	6.75
IP(EA), eV:	-8.81(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-aminophenyl)-7-(2-morpholin-4-ylethyl)pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCCCCS(=O)(=O)N[C@H](C)C1=CC(=C(C=C1)F)OCC2CCC2

DOS

IR

Vibrations