Geometry & MOs

Info

ID:	234494
PubChem CID:	92298551
Reduced:	NO2C18H28 (2)
Stoich.:	AB2C18D28 (2)
Weight, g/mol:	608.455308
ΔH_f, kcal/mol:	-163.49
Dipole, Da:	3.33
IP(EA), eV:	-8.51(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-2,5-bis[(tert-butylamino)methyl]-1,6-bis(4-pentoxyphenyl)hexane-1,6-dione

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)C(=O)[C@@H](CCCC[C@@H](CN(C)C)C(=O)C2=CC=C(C=C2)OCCCCC)CN(C)C

DOS

IR

Vibrations