Geometry & MOs

Info

ID:	127378
PubChem CID:	51000768
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	20.33
Dipole, Da:	3.21
IP(EA), eV:	-8.47(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenoxy-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=NC3=C2C=CN3)NC(=O)CCC4=CC=CC=C4

DOS

IR

Vibrations