Geometry & MOs

Info

ID:

422063

PubChem CID:

135117118

Reduced:

NOC11H12 (2)

Stoich.:

ABC11D12 (2)

Weight, g/mol:

491.264488

ΔHf, kcal/mol:

-51.42

Dipole, Da:

2.77

IP(EA), eV:

 -9.46(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-8,14-dimethyl-20-(pyridin-4-ylmethyl)-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations