Geometry & MOs

Info

ID:

412305

PubChem CID:

135085190

Reduced:

N2O2C27H31 (1)

Stoich.:

A2B2C27D31 (1)

Weight, g/mol:

1165.27598

ΔHf, kcal/mol:

11.86

Dipole, Da:

2.13

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.272848

Charge, e:

6

Chem-info

IUPAC name:

trilithium;6-ethynyl-1-(6-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;[6-ethynyl-1-(6-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxidanium;[6-ethynyl-1-(6-ethynyl-2-oxonionaphthalen-1-yl)naphthalen-2-yl]oxidanium;lanthanum

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C[N+]23CCC(CC2[C@@H](C4=CC=NC5=CC=CC=C45)O)C(C3)C=C

DOS

IR

Vibrations