Geometry & MOs

Info

ID:	424471
PubChem CID:	135122811
Reduced:	OBr3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	433.257671
ΔH_f, kcal/mol:	-92.85
Dipole, Da:	2.66
IP(EA), eV:	-10.5(-1.06)
Spin(S_z, 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] oxolane-3-carboxylate

Drug info:

PubChemData

Smile

C(CCCCCO)CCCCC(C(Br)Br)Br

DOS

IR

Vibrations