Geometry & MOs

Info

ID:	417241
PubChem CID:	135091772
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	504.248504
ΔH_f, kcal/mol:	-48.62
Dipole, Da:	3.85
IP(EA), eV:	-8.63(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-5-(1H-indol-3-ylmethyl)-2-methyl-11-(pyridine-3-carbonyl)-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CO[C@@H]1CCNC[C@@H]1NC2=C(C=CC=N2)C(=O)N3CCCC3

DOS

IR

Vibrations