Geometry & MOs

Info

ID:

299436

PubChem CID:

117682961

Reduced:

N5H45C68 (1)

Stoich.:

A5B45C68 (1)

Weight, g/mol:

688.262697

ΔHf, kcal/mol:

325.92

Dipole, Da:

0.77

IP(EA), eV:

 -7.91(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diphenyl-11-(3-phenylphenyl)-2,11,16-triazaheptacyclo[15.12.0.03,15.04,12.05,10.018,23.024,29]nonacosa-1,3(15),4(12),5,7,9,13,16,18,20,22,24(29),25,27-tetradecaen-26-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=C(C=C4)C5=CC=CC=C5)C6=C3C=CC7=C6N=C8C9=C(C=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=C(C8=N7)C=CC(=C1)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations