Geometry & MOs

Info

ID:	195220
PubChem CID:	78656228
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	419.148121
ΔH_f, kcal/mol:	-161.46
Dipole, Da:	4.08
IP(EA), eV:	-9.71(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)OC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)CC3=CC=CC=C3

DOS

IR

Vibrations