Geometry & MOs

Info

ID:	385627
PubChem CID:	134979581
Reduced:	O2C9H14 (2)
Stoich.:	A2B9C14 (2)
Weight, g/mol:	246.234751
ΔH_f, kcal/mol:	-198.32
Dipole, Da:	1.03
IP(EA), eV:	-9.08(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R)-2-tert-butyl-4-[(1R,3S)-4-tert-butyl-2-bicyclo[1.1.1]pentanyl]bicyclo[1.1.1]pentane

Drug info:

PubChemData

Smile

C[C@@H]1CC2(CC3=CC[C@H](C[C@@]13C)C4(OCCO4)C)OCCO2

DOS

IR

Vibrations