Geometry & MOs

Info

ID:

424410

PubChem CID:

135122586

Reduced:

N5O6C30H39 (1)

Stoich.:

A5B6C30D39 (1)

Weight, g/mol:

496.26857

ΔHf, kcal/mol:

-223.51

Dipole, Da:

6.69

IP(EA), eV:

 -9.52(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-3-(3-ethyl-4-oxospiro[6,8-dihydro-5H-pyrazolo[4,3-c]azepine-7,4'-oxane]-1-yl)-2-methylpropyl] 4-(ethylcarbamoyl)benzoate

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CCCOC(=O)C4=CC=CC(=C4)C(=O)N5CCN(CC5)C(=O)C

DOS

IR

Vibrations