Geometry & MOs

Info

ID:

299426

PubChem CID:

117682950

Reduced:

IN2O5C13H13 (1)

Stoich.:

AB2C5D13E13 (1)

Weight, g/mol:

688.262697

ΔHf, kcal/mol:

-87.03

Dipole, Da:

6.43

IP(EA), eV:

 -9.36(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diphenyl-11-(4-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[C@@H](O[C@@H](C1O)CO)N2C=C(C3=C2C=CC(=C3)[N+](=O)[O-])I

DOS

IR

Vibrations