Geometry & MOs

Info

ID:	326167
PubChem CID:	126686859
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	485.266986
ΔH_f, kcal/mol:	-99.76
Dipole, Da:	6.43
IP(EA), eV:	-9.7(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[[2-(5-chloro-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-ethylpyrimidin-4-yl]amino]methyl]-N-pentylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CCC(C21)C(=O)CCC(=O)O

DOS

IR

Vibrations