Geometry & MOs

Info

ID:

298147

PubChem CID:

117647743

Reduced:

N3H55C71 (1)

Stoich.:

A3B55C71 (1)

Weight, g/mol:

1197.502199

ΔHf, kcal/mol:

272.22

Dipole, Da:

1.62

IP(EA), eV:

 -8.2(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-N,17-N-bis(2,4-diphenylphenyl)-7-N,17-N,10,10,20,20-hexakis-phenyl-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaene-7,17-diamine

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)N(C3=CC=CC=C3)C4=C(C=C(C=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=C1C=C8C9=C(C=C(C=C9)N(C1=CC=CC=C1)C1=C(C=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1)C(C8=N7)(C)C)C

DOS

IR

Vibrations