Geometry & MOs

Info

ID:	434531
PubChem CID:	135175139
Reduced:	NO3C9H18 (2)
Stoich.:	AB3C9D18 (2)
Weight, g/mol:	676.358448
ΔH_f, kcal/mol:	-297.54
Dipole, Da:	7.41
IP(EA), eV:	-9.49(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[4-[3-[4-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-3-formylphenyl]piperazin-1-yl]propoxy]phenyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)CCOCCCCOCCNC(=O)CCCOCCCOC

DOS

IR

Vibrations