Geometry & MOs

Info

ID:	378157
PubChem CID:	134224231
Reduced:	ON3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	450.120716
ΔH_f, kcal/mol:	-24.15
Dipole, Da:	3.99
IP(EA), eV:	-8.13(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CN1CCC[C@H]1C(=O)NC2=CC=C(C=C2)N

DOS

IR

Vibrations