Geometry & MOs

Info

ID:	240970
PubChem CID:	93618509
Reduced:	OSN5C12H15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	38.48
Dipole, Da:	5.4
IP(EA), eV:	-9.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(dimethylamino)-2-methylphenyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=C(N=CC=C1)N2C=NC=N2)SC

DOS

IR

Vibrations