Geometry & MOs

Info

ID:	410715
PubChem CID:	135083516
Reduced:	PWO11C22H24 (1)
Stoich.:	ABC11D22E24 (1)
Weight, g/mol:	168.112643
ΔH_f, kcal/mol:	-324.71
Dipole, Da:	18.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755812
Charge, e:	0

Chem-info

IUPAC name:

lithium;(Z)-5-phenylpent-3-en-1-olate

Drug info:

PubChemData

Smile

CCOC(=O)CC[PH+]1C2C(=C(C1C(=C2C(=O)OC)C(=O)OC)C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]

DOS

IR

Vibrations