Geometry & MOs

Info

ID:	124962
PubChem CID:	50905315
Reduced:	O2N5C24H25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	495.139013
ΔH_f, kcal/mol:	-4.35
Dipole, Da:	9.79
IP(EA), eV:	-9.19(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[methyl-[3-(4-nitro-1,3-dioxoisoindol-2-yl)propyl]amino]propyl]-4-nitroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CCN4CCC(C4)C5=CC=CC=C5

DOS

IR

Vibrations