Geometry & MOs

Info

ID:

424390

PubChem CID:

135122514

Reduced:

ClO3N6C24H29 (1)

Stoich.:

AB3C6D24E29 (1)

Weight, g/mol:

510.28422

ΔHf, kcal/mol:

-70.76

Dipole, Da:

6.1

IP(EA), eV:

 -8.51(-1.01)

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)-2,2-dimethylpropyl] 3-(ethylcarbamoyl)benzoate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C2=NC=C(C(=N2)NC3=CC4=C(C=C3)N(C(=O)C(=C4)OCC(=O)NC)C)Cl)C

DOS

IR

Vibrations