Geometry & MOs

Info

ID:	421886
PubChem CID:	135116773
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	424.26857
ΔH_f, kcal/mol:	-75.64
Dipole, Da:	7.34
IP(EA), eV:	-9.27(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1CC2=CC=C(C=C2)CC(=O)O)O)CC3=NC=CN=C3

DOS

IR

Vibrations