Geometry & MOs

Info

ID:

390382

PubChem CID:

134998836

Reduced:

BF2N5H12C14 (1)

Stoich.:

AB2C5D12E14 (1)

Weight, g/mol:

678.44717

ΔHf, kcal/mol:

-77.69

Dipole, Da:

4.27

IP(EA), eV:

 -9.5(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,9R)-14,24-ditert-butyl-19-chloro-10-methyl-16,22-bis(3-methylpentan-3-yl)-18,20-dioxa-3,10-diaza-19-aluminatetracyclo[19.4.0.04,9.012,17]pentacosa-1(21),2,12(17),13,15,22,24-heptaene

Drug info:

PubChemData

Smile

[B-]1(C2=CC(=NN=C2N3[N+]1=C(C=C3C)C)C4=CC=CC=N4)(F)F

DOS

IR

Vibrations