Geometry & MOs

Info

ID:	384092
PubChem CID:	134976319
Reduced:	NOC19H34 (1)
Stoich.:	ABC19D34 (1)
Weight, g/mol:	432.28513
ΔH_f, kcal/mol:	-12.36
Dipole, Da:	4.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.934572
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-1,2,6-tritert-butyl-4-methyl-4-(trifluoromethyl)-3-oxatricyclo[3.1.0.02,6]hexane-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC1=C(C1C2CCC(N2[O])(C)C)CCCC

DOS

IR

Vibrations