Geometry & MOs

Info

ID:

316092

PubChem CID:

126630059

Reduced:

N5O6C35H49 (1)

Stoich.:

A5B6C35D49 (1)

Weight, g/mol:

897.465814

ΔHf, kcal/mol:

-214.92

Dipole, Da:

3.67

IP(EA), eV:

 -9.04(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-[4-[5-[4-[4-[bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)amino]phenyl]phenyl]hexan-3-yl]phenyl]-4-N-(4-methoxyphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine

Drug info:

PubChemData

Smile

C/C=C/[C@H](C(C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C(=O)N1CCCC(N1)(C)C(=O)O[C@H](C)C2=CC3=CC(=NC=C3C=C2)C=C)OC

DOS

IR

Vibrations