Geometry & MOs

Info

ID:	390163
PubChem CID:	134997491
Reduced:	NO5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	246.92261
ΔH_f, kcal/mol:	-263.94
Dipole, Da:	2.97
IP(EA), eV:	-9.78(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;magnesium;benzonitrile;bromide;chloride

Drug info:

PubChemData

Smile

CCC[C@H](CC(=C)C(=O)OCC)OC(=O)N1C(COC1(C)C)(C)C

DOS

IR

Vibrations