Geometry & MOs

Info

ID:	84939
PubChem CID:	49870807
Reduced:	ON4C26H26 (1)
Stoich.:	AB4C26D26 (1)
Weight, g/mol:	328.164774
ΔH_f, kcal/mol:	39.92
Dipole, Da:	3.37
IP(EA), eV:	-8.13(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2=CC(=O)N(C=C2)C3=CC4=C(C=C3)C5=C(N4C)CC6CCCN6C5

DOS

IR

Vibrations