Geometry & MOs

Info

ID:	408804
PubChem CID:	135081572
Reduced:	N2O4C24H27 (2)
Stoich.:	A2B4C24D27 (2)
Weight, g/mol:	125.081678
ΔH_f, kcal/mol:	-180.55
Dipole, Da:	23.09
IP(EA), eV:	-6.21(-2.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;1-azanidacyclonona-2,4,6,8-tetraene

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C6=CC=C(C(C6(C(=N5)C=C1N2)C)C(=O)OCC)C(=O)OCC)C)CC)C7(C3=CC=C(C7C(=O)OCC)C(=O)OCC)C)C

DOS

IR

Vibrations