Geometry & MOs

Info

ID:

449284

PubChem CID:

135297380

Reduced:

ClFO2N4H20C23 (1)

Stoich.:

ABC2D4E20F23 (1)

Weight, g/mol:

480.233683

ΔHf, kcal/mol:

4.08

Dipole, Da:

6.83

IP(EA), eV:

 -9.25(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(7S)-3-(2,6-difluorophenyl)-5-ethyl-6,6,7-trimethyl-5H-cyclopenta[c]pyridazin-7-yl]-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1([C@H]2CCC1(C3=NN=C(C=C23)C4=C(C=CC=C4Cl)F)C5=NC(=NC=C5)C(=O)OC)C

DOS

IR

Vibrations