Geometry & MOs

Info

ID:	169936
PubChem CID:	75169375
Reduced:	NO3H21C23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	502.304287
ΔH_f, kcal/mol:	-54.32
Dipole, Da:	5.56
IP(EA), eV:	-9.63(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[10-(7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonyl)-1,7-dioxa-4,10-diazacyclododecane-4-carbonyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

C1C(OC(=O)NC1(C2=CC=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations