Geometry & MOs

Info

ID:	172115
PubChem CID:	75468741
Reduced:	ClON4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	366.09429
ΔH_f, kcal/mol:	-5.78
Dipole, Da:	4.66
IP(EA), eV:	-8.74(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-bromo-1-adamantyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C1=CN=CC=C1)NC(=O)N(C)CC2=CC(=CN2C)Cl

DOS

IR

Vibrations