Geometry & MOs

Info

ID:	15827
PubChem CID:	453179
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	311.126991
ΔH_f, kcal/mol:	-83.34
Dipole, Da:	6.33
IP(EA), eV:	-8.43(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)amino]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCC1=C(NC(=O)C(=C1)NCN2C(=O)C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations