Geometry & MOs

Info

ID:	227709
PubChem CID:	87562278
Reduced:	FON6C22H27 (1)
Stoich.:	ABC6D22E27 (1)
Weight, g/mol:	396.243773
ΔH_f, kcal/mol:	-21.17
Dipole, Da:	4.12
IP(EA), eV:	-8.34(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-aminopropyl)-N-[4-[1-(2-fluoroethyl)piperidin-4-yl]phenyl]pyrrolo[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=C(C=C2)NC3=NC=C4C=CN(C4=N3)CCC(=O)N)CCF

DOS

IR

Vibrations