Geometry & MOs

Info

ID:	395337
PubChem CID:	135025212
Reduced:	LiMgNC2Cl2H5 (2)
Stoich.:	ABCD2E2F5 (2)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-278.07
Dipole, Da:	4.79
IP(EA), eV:	-7.66(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-(cyanomethyl)-3-(4-methylphenyl)-3-pyrrolidin-1-ylprop-2-enoate

Drug info:

PubChemData

Smile

[Li+].[Li+].C[N-]CC[N-]C.[Mg+2].[Mg+2].[Cl-].[Cl-].[Cl-].[Cl-]

DOS

IR

Vibrations