Geometry & MOs

Info

ID:

310282

PubChem CID:

126577922

Reduced:

N5H25C44 (1)

Stoich.:

A5B25C44 (1)

Weight, g/mol:

634.215747

ΔHf, kcal/mol:

268.47

Dipole, Da:

2.14

IP(EA), eV:

 -8.01(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(7-phenylbenzo[c]carbazol-10-yl)-1,18,25-triazaheptacyclo[14.10.1.02,11.03,8.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17,19,21,23,25-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5=C(C=C42)N(C6=CC=CC=C65)C7=CC8=C(C=C7)N9C1=C8C=CC=C1C1=NC2=CC=CC=C2N=C19

DOS

IR

Vibrations