Geometry & MOs

Info

ID:	82271
PubChem CID:	49855831
Reduced:	FNO4H14C18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	586.470958
ΔH_f, kcal/mol:	-141.9
Dipole, Da:	2.75
IP(EA), eV:	-9.27(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,16-bis[2-(1-adamantyl)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(=O)CC(=O)OC)N=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations