Geometry & MOs

Info

ID:

408622

PubChem CID:

135081390

Reduced:

ClC9H15 (2)

Stoich.:

AB9C15 (2)

Weight, g/mol:

707.210996

ΔHf, kcal/mol:

-40.31

Dipole, Da:

2.96

IP(EA), eV:

 -9.21(0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[10-cyanoimino-2-(4-methyl-4-azatridecacyclo[18.13.1.118,21.02,6.07,32.09,30.011,29.013,27.016,26.022,33.023,31.024,28.025,35]pentatriaconta-1(33),7(32),8,11(29),12,14,16,18(35),20(34),21,23,25,27,30-tetradecaen-3-yl)anthracen-9-ylidene]cyanamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1[C@H]2[C@](C2(Cl)Cl)(C=C1C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations