Geometry & MOs

Info

ID:

424355

PubChem CID:

135122341

Reduced:

N4O6C29H38 (1)

Stoich.:

A4B6C29D38 (1)

Weight, g/mol:

551.310769

ΔHf, kcal/mol:

-220.52

Dipole, Da:

5.3

IP(EA), eV:

 -9.51(-1.25)

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] 4-(piperazine-1-carbonyl)benzoate

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CCCCOC(=O)C4=CC=C(C=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations