Geometry & MOs

Info

ID:

411718

PubChem CID:

135084552

Reduced:

O2N3H31C34 (1)

Stoich.:

A2B3C31D34 (1)

Weight, g/mol:

1105.36988

ΔHf, kcal/mol:

41.67

Dipole, Da:

3.93

IP(EA), eV:

 -8.64(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 6

Chem-info

IUPAC name:

trilithium;1-(2-hydroxy-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-ol;[1-(2-hydroxy-6-methylnaphthalen-1-yl)-6-methylnaphthalen-2-yl]oxidanium;lanthanum;[6-methyl-1-(6-methyl-2-oxonionaphthalen-1-yl)naphthalen-2-yl]oxidanium

Drug info:

PubChemData

Smile

CCC12CN3CCC1CC3[C@@H](O2)C4=C5C=C(C=CC5=NC=C4)NC(=O)C6=C7C=CC=CC7=CC8=CC=CC=C86

DOS

IR

Vibrations