Geometry & MOs

Info

ID:	424394
PubChem CID:	135122527
Reduced:	FNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	552.294785
ΔH_f, kcal/mol:	-164.05
Dipole, Da:	4.37
IP(EA), eV:	-9.36(0.34)
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] 4-(morpholine-4-carbonyl)benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CNCCOCC1=CC=CC=C1)CF

DOS

IR

Vibrations