Geometry & MOs

Info

ID:	297798
PubChem CID:	117631383
Reduced:	ON2F3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	398.293328
ΔH_f, kcal/mol:	-118.9
Dipole, Da:	4.05
IP(EA), eV:	-9.45(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propyl]-2-oxaspiro[4.5]decan-1-one

Drug info:

PubChemData

Smile

C1CN(C(CN1)C2=C(C(=C(C=C2)F)F)F)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations