Geometry & MOs

Info

ID:

449350

PubChem CID:

135297861

Reduced:

N2O9C39H42 (1)

Stoich.:

A2B9C39D42 (1)

Weight, g/mol:

460.218701

ΔHf, kcal/mol:

-289.16

Dipole, Da:

4.29

IP(EA), eV:

 -8.17(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2,6-difluorophenyl)-5-ethyl-6,6,7-trimethyl-7-[6-(3-methyl-1,2,4-triazol-1-yl)pyridin-2-yl]-5H-cyclopenta[c]pyridazine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC)C2=C(C=C(C=C2)NC(=O)C3=C(C=C(C(=C3)C(=O)C)C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=C)C(=C)C)C

DOS

IR

Vibrations