Geometry & MOs

Info

ID:	202860
PubChem CID:	79734832
Reduced:	BrO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	-62.05
Dipole, Da:	4.2
IP(EA), eV:	-9.2(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-methylbut-2-enyl)piperidin-4-yl]oxypropan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1Br)NC(=O)CN2CCCC2=O

DOS

IR

Vibrations