Geometry & MOs

Info

ID:

189502

PubChem CID:

77866546

Reduced:

SiO6C28H38 (1)

Stoich.:

AB6C28D38 (1)

Weight, g/mol:

585.276276

ΔHf, kcal/mol:

-299.85

Dipole, Da:

1.45

IP(EA), eV:

 -9.03(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1(OCC(O1)C2C3C(C(O2)CC(C)(C)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)O)OC(O3)(C)C)C

DOS

IR

Vibrations