Geometry & MOs

Info

ID:

449335

PubChem CID:

135297752

Reduced:

F2O2N5C30H37 (1)

Stoich.:

A2B2C5D30E37 (1)

Weight, g/mol:

545.296617

ΔHf, kcal/mol:

-111.96

Dipole, Da:

6.74

IP(EA), eV:

 -9.46(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[4-[(2S)-2-[4-butan-2-yl-6-(2,6-difluorophenyl)pyridazin-3-yl]-3,3-dimethylbutan-2-yl]pyrimidin-2-yl]pyridin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CCCC1=CC(=NN=C1C(C)(C2=NC(=NC=C2)C3CCN(CC3)C(=O)CO)C(C)(C)C)C4=C(C=CC=C4F)F

DOS

IR

Vibrations