Geometry & MOs

Info

ID:	414443
PubChem CID:	135087401
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	459.284555
ΔH_f, kcal/mol:	-43.26
Dipole, Da:	2.55
IP(EA), eV:	-8.89(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,8R)-2-benzyl-5-methyl-8-propan-2-yl-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)CCC3=CNN=C3

DOS

IR

Vibrations