Geometry & MOs

Info

ID:	421555
PubChem CID:	135116200
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	417.237604
ΔH_f, kcal/mol:	-126.5
Dipole, Da:	2.58
IP(EA), eV:	-8.82(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-2-methyl-5-propan-2-yl-11-(pyridine-4-carbonyl)-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)CCOC3=CC=CC=C3

DOS

IR

Vibrations