Geometry & MOs

Info

ID:	217666
PubChem CID:	85088188
Reduced:	N3O6C19H25 (1)
Stoich.:	A3B6C19D25 (1)
Weight, g/mol:	383.149775
ΔH_f, kcal/mol:	-242.61
Dipole, Da:	6.85
IP(EA), eV:	-9.82(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[diethoxymethyl(ethoxy)phosphoryl]propyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(C(=O)NC1NNC(=O)CC2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations