Geometry & MOs

Info

ID:

299432

PubChem CID:

117682956

Reduced:

N2H20C33 (2)

Stoich.:

A2B20C33 (2)

Weight, g/mol:

864.325297

ΔHf, kcal/mol:

321.25

Dipole, Da:

3.8

IP(EA), eV:

 -8.16(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-naphthalen-1-yl-N-naphthalen-2-yl-8-phenyl-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(10),6,8,13,16,18,20,22,24(29),25,27-tetradecaen-26-amine

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=CC4=C(C=C3)C5=C(N4C6=CC=CC7=CC=CC=C76)C=CC8=C5N=C9C1=C(C=C(C=C1)N(C1=CC2=CC=CC=C2C=C1)C1=CC=CC2=CC=CC=C21)C1=CC=CC=C1C9=N8

DOS

IR

Vibrations