Geometry & MOs

Info

ID:	184727
PubChem CID:	77199640
Reduced:	BrNO5C40H70 (1)
Stoich.:	ABC5D40E70 (1)
Weight, g/mol:	268.103535
ΔH_f, kcal/mol:	-299.72
Dipole, Da:	3.89
IP(EA), eV:	-8.79(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;2-(3-methylmorpholin-4-yl)-1,3-benzoxazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCOCCOCCOCCOCCNC(=O)C(C1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C)Br

DOS

IR

Vibrations