Geometry & MOs

Info

ID:

424477

PubChem CID:

135122832

Reduced:

ClO3F6N6H23C24 (1)

Stoich.:

AB3C6D6E23F24 (1)

Weight, g/mol:

440.242356

ΔHf, kcal/mol:

-379.64

Dipole, Da:

5.75

IP(EA), eV:

 -8.82(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3-ethyl-4-oxospiro[6,8-dihydro-5H-pyrazolo[4,3-c]azepine-7,4'-oxane]-1-yl)propyl 2,6-dimethylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)COC1=CC2=C(C=CC(=C2)NC3=NC(=NC=C3Cl)N4C[C@@H](C[C@@H](C4)C(F)(F)F)C(F)(F)F)N(C1=O)C

DOS

IR

Vibrations