Geometry & MOs

Info

ID:

449712

PubChem CID:

135300872

Reduced:

N3O11C43H53 (1)

Stoich.:

A3B11C43D53 (1)

Weight, g/mol:

441.184112

ΔHf, kcal/mol:

-403.43

Dipole, Da:

4.25

IP(EA), eV:

 -7.96(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-dibenzofuran-4-yl-3-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-6-phenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H](C([C@H](C([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6N5)C)O)/C

DOS

IR

Vibrations