Geometry & MOs

Info

ID:	433537
PubChem CID:	135173676
Reduced:	NF2O3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	438.3974
ΔH_f, kcal/mol:	-147.78
Dipole, Da:	3.28
IP(EA), eV:	-9.44(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,3-dimethyl-3-(1-methylazetidin-3-yl)butan-2-yl]-1-[2,3-dimethyl-3-(4-prop-1-en-2-ylphenyl)butan-2-yl]piperidine

Drug info:

PubChemData

Smile

C1C2=CC(=C(C=C2CN1CC3=CC(=O)C(=CO3)O)F)F

DOS

IR

Vibrations