Geometry & MOs

Info

ID:	46986
PubChem CID:	10528767
Reduced:	NO7C27H31 (1)
Stoich.:	AB7C27D31 (1)
Weight, g/mol:	481.232519
ΔH_f, kcal/mol:	-258.46
Dipole, Da:	11.28
IP(EA), eV:	-9.09(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-nitro-2-piperidin-1-ylphenyl)-N-[(5-nitro-2-piperidin-1-ylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=C)[C@H]2CN([C@@H]([C@H]2CC(=O)O)C(=O)O)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations