Geometry & MOs

Info

ID:	394427
PubChem CID:	135022983
Reduced:	BrO13C30H43 (1)
Stoich.:	AB13C30D43 (1)
Weight, g/mol:	109.06534
ΔH_f, kcal/mol:	-524.22
Dipole, Da:	5.52
IP(EA), eV:	-9.48(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4,5-dimethyl-2-methylidene-3H-furan-3-ylium

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1[C@H]2C(COC(O2)C3=CC=CC=C3)O[C@H](C1OC(=O)CBr)OCC4[C@H](C(C([C@H](O4)OC)OC)OC)OC

DOS

IR

Vibrations