Geometry & MOs

Info

ID:

401343

PubChem CID:

135051000

Reduced:

NOC18H18 (1)

Stoich.:

ABC18D18 (1)

Weight, g/mol:

117.076592

ΔHf, kcal/mol:

49.68

Dipole, Da:

2.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.790291

Charge, e:

 0

Chem-info

IUPAC name:

lithium;2-methanidyl-4,5-dimethyl-1,3-oxazole

Drug info:

PubChemData

Smile

CCCC#[N+]C(C1=CC=CC=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations