Geometry & MOs

Info

ID:	412072
PubChem CID:	135084935
Reduced:	N2C5H10 (3)
Stoich.:	A2B5C10 (3)
Weight, g/mol:	648.19479
ΔH_f, kcal/mol:	47.94
Dipole, Da:	2.35
IP(EA), eV:	-8.66(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantyl (2R)-2-[3-[(2R)-1-(1-adamantyloxy)-1-oxopropan-2-yl]oxy-2-iodophenoxy]propanoate

Drug info:

PubChemData

Smile

CCCCN1CN(C=N1)CCCN2CN(N=C2)CCCC

DOS

IR

Vibrations