Geometry & MOs

Info

ID:	226861
PubChem CID:	87558667
Reduced:	NO2C19H31 (1)
Stoich.:	AB2C19D31 (1)
Weight, g/mol:	392.319149
ΔH_f, kcal/mol:	-78.07
Dipole, Da:	1.74
IP(EA), eV:	-9.54(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1,3-bis(1-adamantyl)butyl]imidazole

Drug info:

PubChemData

Smile

CCCCCCCC(C)CC(C(/C=N/O)C1=CC=CC=C1)O

DOS

IR

Vibrations