Geometry & MOs

Info

ID:	204700
PubChem CID:	79999102
Reduced:	SCl3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	279.138992
ΔH_f, kcal/mol:	-35.3
Dipole, Da:	2.44
IP(EA), eV:	-9.34(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-5-(3,5-dimethyl-1-adamantyl)-1,3-oxazole

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)C(C4=C(SC(=C4)Cl)Cl)Cl)C

DOS

IR

Vibrations