Geometry & MOs

Info

ID:

411721

PubChem CID:

135084555

Reduced:

NOReP2C31H31 (1)

Stoich.:

ABCD2E31F31 (1)

Weight, g/mol:

586.192768

ΔHf, kcal/mol:

281.96

Dipole, Da:

6.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.104813

Charge, e:

 0

Chem-info

IUPAC name:

lithium;13,13'-spirobi[12,14-dioxa-13-boranuidapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]

Drug info:

PubChemData

Smile

[CH3-].[CH2-]P(C1=CC=CC=C1)C2=CC=CC=C2.[CH-]1C=CC=C1.C1=CC=C(C=C1)PC2=CC=CC=C2.[N-]=O.[Re]

DOS

IR

Vibrations