Geometry & MOs

Info

ID:	300304
PubChem CID:	121270283
Reduced:	ClO3N5H24C25 (1)
Stoich.:	AB3C5D24E25 (1)
Weight, g/mol:	502.188402
ΔH_f, kcal/mol:	-16.51
Dipole, Da:	4.31
IP(EA), eV:	-8.6(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[5-[2-(3,6-dimethylpyrazine-2-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridin-3-yl]-3,3-dimethylisoindol-1-one

Drug info:

PubChemData

Smile

CC1=C(N=CO1)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