Geometry & MOs

Info

ID:	384364
PubChem CID:	134976853
Reduced:	C9H16 (2)
Stoich.:	A9B16 (2)
Weight, g/mol:	482.261949
ΔH_f, kcal/mol:	-56.75
Dipole, Da:	0.43
IP(EA), eV:	-10.1(3.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R,4R)-2,3,4-tritert-butyl-5,6-bis(trifluoromethyl)bicyclo[2.2.0]hexa-2,5-diene-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(C1)[C@]2(CC[C@@]2(C)C3CCC(C3)C)C

DOS

IR

Vibrations