Geometry & MOs

Info

ID:

59672

PubChem CID:

24892960

Reduced:

O13C42H72 (1)

Stoich.:

A13B42C72 (1)

Weight, g/mol:

227.093773

ΔHf, kcal/mol:

-653.48

Dipole, Da:

8.31

IP(EA), eV:

 -9.4(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

[(E)-amino-(3-chloro-2-methylphenyl)azaniumylidenemethyl]-(diaminomethylidene)azanium

Drug info:

PubChemData

Smile

CC(=CCCC(C)(C1CC[C@@]2(C1C(CC3[C@]2(CCC4[C@@]3(CC[C@H](C4(C)C)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O)C

DOS

IR

Vibrations