Geometry & MOs

Info

ID:	82430
PubChem CID:	49856022
Reduced:	NO2C19H33 (2)
Stoich.:	AB2C19D33 (2)
Weight, g/mol:	642.460788
ΔH_f, kcal/mol:	-249.81
Dipole, Da:	2.23
IP(EA), eV:	-8.82(1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantyl)-1-[16-[3-(1-adamantyl)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-1-one

Drug info:

PubChemData

Smile

C1COCCOCCN(CCOCCOCCN1CCCC23CC4CC(C2)CC(C4)C3)CCCC56CC7CC(C5)CC(C7)C6

DOS

IR

Vibrations