Geometry & MOs

Info

ID:	250397
PubChem CID:	103096280
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-5.17
Dipole, Da:	4.16
IP(EA), eV:	-10.14(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CN=CC(=C2)C)O

DOS

IR

Vibrations