Geometry & MOs

Info

ID:	407482
PubChem CID:	135080227
Reduced:	Li2N2O2C11H14 (1)
Stoich.:	A2B2C2D11E14 (1)
Weight, g/mol:	202.084124
ΔH_f, kcal/mol:	-100.67
Dipole, Da:	13.51
IP(EA), eV:	-6.52(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(2-hydroxybut-3-enyl)propanedioate

Drug info:

PubChemData

Smile

[Li+].[Li+].CC(C)(C)OC(=O)[N-]C1=C(C=NC=C1)[CH2-]

DOS

IR

Vibrations