Geometry & MOs

Info

ID:

300272

PubChem CID:

121270099

Reduced:

ClO2N5C28H28 (1)

Stoich.:

AB2C5D28E28 (1)

Weight, g/mol:

498.157102

ΔHf, kcal/mol:

8.45

Dipole, Da:

3.58

IP(EA), eV:

 -8.72(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)pyridin-3-yl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)C)C(=O)N2CC3(C2)CN(C3)C4=CC(=CN=C4)N5C(=O)C6=C(C5(C)C)C=C(C=C6)Cl

DOS

IR

Vibrations