Geometry & MOs

Info

ID:	46653
PubChem CID:	10525982
Reduced:	O3C27H44 (1)
Stoich.:	A3B27C44 (1)
Weight, g/mol:	416.274672
ΔH_f, kcal/mol:	-153.26
Dipole, Da:	5.37
IP(EA), eV:	-9.82(2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-ditert-butyl-4-methylphenyl) 2-[tert-butyl(dimethyl)silyl]oxycyclopropene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CC[C@H]1C(O1)(C)C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@H]5[C@@]6([C@@]4(CC[C@@H](C6)O)C)O5)C

DOS

IR

Vibrations