Geometry & MOs

Info

ID:

309969

PubChem CID:

126571546

Reduced:

FN6H33C34 (1)

Stoich.:

AB6C33D34 (1)

Weight, g/mol:

389.116268

ΔHf, kcal/mol:

157.91

Dipole, Da:

10.79

IP(EA), eV:

 -8.32(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[3-[1-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]oxiran-2-yl]-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

C/C=C(\C=C(/C=C)\NC(=C)C1CCCCC1)/C2=NC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC(=CC=C6)F

DOS

IR

Vibrations