Geometry & MOs

Info

ID:

311213

PubChem CID:

126589926

Reduced:

NC5H6 (4)

Stoich.:

AB5C6 (4)

Weight, g/mol:

548.225249

ΔHf, kcal/mol:

83.32

Dipole, Da:

4.05

IP(EA), eV:

 -8.17(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-(4-methylphenyl)-18-phenyl-13,18-diazaheptacyclo[15.13.0.02,14.03,12.05,10.019,24.025,30]triaconta-1(17),2(14),3,5,7,9,11,15,19,21,23,25,27,29-tetradecaene

Drug info:

PubChemData

Smile

C1C=CC(=CN1)[C@@H](C(C2=CC=CC=C2)NC(C3=CC=CC=C3)N)N

DOS

IR

Vibrations