Geometry & MOs

Info

ID:	424424
PubChem CID:	135122633
Reduced:	ON3F4H7C10 (1)
Stoich.:	AB3C4D7E10 (1)
Weight, g/mol:	439.210721
ΔH_f, kcal/mol:	-174.61
Dipole, Da:	1.72
IP(EA), eV:	-9.29(-0.84)
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)propyl 4-formylbenzoate

Drug info:

PubChemData

Smile

CC1=NN(C(=O)N1C(F)F)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations