Geometry & MOs

Info

ID:

299429

PubChem CID:

117682953

Reduced:

N2H17C27 (2)

Stoich.:

A2B17C27 (2)

Weight, g/mol:

838.309647

ΔHf, kcal/mol:

262.75

Dipole, Da:

1.2

IP(EA), eV:

 -8.05(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,11-dinaphthalen-1-yl-N-naphthalen-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)N2C3=C(C4=C2C=C(C=C4)C5=CC6=CC=CC=C6C=C5)C7=C(C=C3)N=C8C9=CC=CC=C9C1=C(C8=N7)C=CC(=C1)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations