Geometry & MOs

Info

ID:	424399
PubChem CID:	135122548
Reduced:	OF3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-127.34
Dipole, Da:	4.3
IP(EA), eV:	-8.39(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OC(F)(F)F)C2=NC=C(C=N2)N

DOS

IR

Vibrations