Geometry & MOs

Info

ID:	43579
PubChem CID:	10321492
Reduced:	ON5H27C28 (1)
Stoich.:	AB5C27D28 (1)
Weight, g/mol:	449.253923
ΔH_f, kcal/mol:	87.8
Dipole, Da:	3.12
IP(EA), eV:	-9.66(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-cyclohexylethyl)-6-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations