Geometry & MOs

Info

ID:

436866

PubChem CID:

135212408

Reduced:

O3N6C25H30 (1)

Stoich.:

A3B6C25D30 (1)

Weight, g/mol:

624.231397

ΔHf, kcal/mol:

32.0

Dipole, Da:

9.91

IP(EA), eV:

 -9.03(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-[4-(9-phenylcarbazol-3-yl)phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

CC1=C(COC1=O)N(C)CC2C3[C@@]2(CC[C@@H](C3)N(C)CC4=CC5=C(C=C4)C6=NN=NN6C5)C=O

DOS

IR

Vibrations