Geometry & MOs

Info

ID:

424342

PubChem CID:

135122293

Reduced:

O4N5C24H27 (1)

Stoich.:

A4B5C24D27 (1)

Weight, g/mol:

551.310769

ΔHf, kcal/mol:

-108.67

Dipole, Da:

3.02

IP(EA), eV:

 -8.77(-0.82)

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] 3-(4-methylpiperazine-1-carbonyl)benzoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC4=C(C=C3)C=C(N4)C(=O)NCCNC(=O)O

DOS

IR

Vibrations