Geometry & MOs

Info

ID:

449361

PubChem CID:

135297958

Reduced:

NOBr2C38H41 (1)

Stoich.:

ABC2D38E41 (1)

Weight, g/mol:

532.276216

ΔHf, kcal/mol:

2.97

Dipole, Da:

2.65

IP(EA), eV:

 -9.01(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[4-[1-[6-(2,6-difluorophenyl)-4-(2,2-dimethylpentan-3-yl)pyridazin-3-yl]ethyl]pyrimidin-2-yl]pyrimidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CCCCCCC1=CC(=CC=C1)C2(C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4NC=O)Br)C5=CC=CC(=C5)CCCCCC

DOS

IR

Vibrations