Geometry & MOs

Info

ID:

299452

PubChem CID:

117682978

Reduced:

N3H22C35 (2)

Stoich.:

A3B22C35 (2)

Weight, g/mol:

992.362745

ΔHf, kcal/mol:

361.01

Dipole, Da:

2.38

IP(EA), eV:

 -8.02(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diphenyl-11-(4,5,6-trinaphthalen-2-ylpyrimidin-2-yl)-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=C(N=C(N=C2C3=CC=CC=C3)N4C5=C(C=C(C=C5)C6=CC7=CC=CC=C7C=C6)C8=C4C=CC9=C8N=C1C2=C(C=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C2C1=N9)C1=CC=CC=C1

DOS

IR

Vibrations