Geometry & MOs

Info

ID:

299430

PubChem CID:

117682954

Reduced:

N2H19C31 (2)

Stoich.:

A2B19C31 (2)

Weight, g/mol:

838.309647

ΔHf, kcal/mol:

298.8

Dipole, Da:

1.66

IP(EA), eV:

 -8.13(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-naphthalen-1-yl-N,11-dinaphthalen-2-yl-8-phenyl-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=C(C=C1)C2=CC3=C(C=C2)C4=C(N3C5=CC=CC6=CC=CC=C65)C=CC7=C4N=C8C9=C(C=C(C=C9)N(C1=CC2=CC=CC=C2C=C1)C1=CC=CC2=CC=CC=C21)C1=CC=CC=C1C8=N7

DOS

IR

Vibrations