Geometry & MOs

Info

ID:	384099
PubChem CID:	134976333
Reduced:	LiPC15H30 (1)
Stoich.:	ABC15D30 (1)
Weight, g/mol:	258.125594
ΔH_f, kcal/mol:	52.53
Dipole, Da:	18.97
IP(EA), eV:	-3.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[hydroxy(phenyl)methyl]-4-pentylcyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

[Li+].CCP(CC)CCC1C(C([C-](C1C)C)C)C

DOS

IR

Vibrations