Geometry & MOs

Info

ID:	210071
PubChem CID:	80758076
Reduced:	O2N5H13C14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	283.106925
ΔH_f, kcal/mol:	-16.13
Dipole, Da:	4.55
IP(EA), eV:	-9.12(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1NC2=CC3=C(C=C2)C(=O)NC3=O)C)N

DOS

IR

Vibrations