Geometry & MOs

Info

ID:	84660
PubChem CID:	49869185
Reduced:	ClO3N4H9C13 (1)
Stoich.:	AB3C4D9E13 (1)
Weight, g/mol:	399.126216
ΔH_f, kcal/mol:	12.98
Dipole, Da:	8.38
IP(EA), eV:	-9.53(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]-2-(4-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=NN(C(=O)O2)C3=NN=C(C=C3)Cl

DOS

IR

Vibrations