Geometry & MOs

Info

ID:	300271
PubChem CID:	121270097
Reduced:	O3N6C27H28 (1)
Stoich.:	A3B6C27D28 (1)
Weight, g/mol:	501.193153
ΔH_f, kcal/mol:	-5.11
Dipole, Da:	6.46
IP(EA), eV:	-8.65(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[5-[2-(2,4-dimethylpyridine-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyridin-3-yl]-3,3-dimethylisoindol-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations