Geometry & MOs

Info

ID:

310407

PubChem CID:

126579895

Reduced:

N4O6C37H60 (1)

Stoich.:

A4B6C37D60 (1)

Weight, g/mol:

534.209599

ΔHf, kcal/mol:

-329.29

Dipole, Da:

1.97

IP(EA), eV:

 -8.74(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-naphthalen-2-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@H](CC(C)C)C(=O)C)N(C)C(=O)[C@H](C1CCCCC1)NC[C@H]2CCC3=C(O2)C(=CC=C3)CCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations