Geometry & MOs

Info

ID:

424408

PubChem CID:

135122582

Reduced:

N5O8C36H45 (1)

Stoich.:

A5B8C36D45 (1)

Weight, g/mol:

482.25292

ΔHf, kcal/mol:

-269.35

Dipole, Da:

3.42

IP(EA), eV:

 -9.6(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(CC3(CCOCC3)CNC2=O)C(=N1)CCCCOC(=O)C4=CC=C(C=C4)C(=O)NC.CN(C)C(=O)C1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations