Geometry & MOs

Info

ID:

421972

PubChem CID:

135116937

Reduced:

O2N4C19H22 (1)

Stoich.:

A2B4C19D22 (1)

Weight, g/mol:

556.291037

ΔHf, kcal/mol:

-21.43

Dipole, Da:

5.14

IP(EA), eV:

 -8.5(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-8,14-dimethyl-20-[(3-pyrazol-1-ylphenyl)methyl]-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

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=C4C=CN(C4=CC=C3)C

DOS

IR

Vibrations