Geometry & MOs

Info

ID:

409169

PubChem CID:

135081948

Reduced:

NC8H8 (4)

Stoich.:

AB8C8 (4)

Weight, g/mol:

494.247047

ΔHf, kcal/mol:

132.69

Dipole, Da:

1.32

IP(EA), eV:

 -7.44(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14,18-diethyl-13,19-dimethyl-29,30,31,32-tetrazaheptacyclo[20.6.1.13,10.112,15.117,20.04,9.023,28]dotriaconta-1(29),2,4,6,8,10(32),11,13,15,17,19,21,23,25,27-pentadecaene

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)C)C(=C4C)C)C6=CC=CC=C63)C

DOS

IR

Vibrations