Geometry & MOs

Info

ID:

439512

PubChem CID:

135229287

Reduced:

NO12C51H83 (1)

Stoich.:

AB12C51D83 (1)

Weight, g/mol:

720.382812

ΔHf, kcal/mol:

-580.81

Dipole, Da:

10.07

IP(EA), eV:

 -8.81(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,6-ditert-butyl-9-[5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole

Drug info:

PubChemData

Smile

C/C=C/C=C(\C)/[C@H](C[C@@H]1CC[C@H]([C@@](O1)(C(=O)C(=O)N2CCCCC2C(=O)O[C@@H](CC(=O)[C@H](C)/C=C(\C)/C[C@H](C(=O)[C@H](C)CC(C)C)OC)[C@H](C)CC3CC[C@H]([C@@H](C3)OC)O)O)C)OC

DOS

IR

Vibrations