Geometry & MOs

Info

ID:	204582
PubChem CID:	79986247
Reduced:	NOSC16H21 (1)
Stoich.:	ABCD16E21 (1)
Weight, g/mol:	266.118591
ΔH_f, kcal/mol:	-37.95
Dipole, Da:	4.61
IP(EA), eV:	-9.7(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)C4=NC(=CS4)C=O)C

DOS

IR

Vibrations