Geometry & MOs

Info

ID:	299157
PubChem CID:	117673553
Reduced:	SN2O3C27H54 (1)
Stoich.:	AB2C3D27E54 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	-234.0
Dipole, Da:	0.45
IP(EA), eV:	-8.65(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[1-(2-aminophenyl)ethenyl]piperidin-3-ol

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)NCCCCNC(=O)CCCCCCCCCCSCCOC

DOS

IR

Vibrations