Geometry & MOs

Info

ID:	139038
PubChem CID:	52463722
Reduced:	N2O5H24C27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	423.143035
ΔH_f, kcal/mol:	-124.16
Dipole, Da:	3.82
IP(EA), eV:	-9.39(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dioxoisoindol-2-yl)propyl 5-nitro-2-pyrrolidin-1-ylbenzoate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)OCCCN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations