Geometry & MOs

Info

ID:

189675

PubChem CID:

77887910

Reduced:

O2F3N5C25H32 (1)

Stoich.:

A2B3C5D25E32 (1)

Weight, g/mol:

521.216923

ΔHf, kcal/mol:

-212.12

Dipole, Da:

0.85

IP(EA), eV:

 -9.05(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-(4-chlorophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-[3-[[5-(trifluoromethyl)pyridin-3-yl]amino]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=NC=C2C(=C1)C=C(O2)C3=C(N=C(N=C3NC4CC(C(C4C)C)CO)NCCC(F)(F)F)C

DOS

IR

Vibrations