Geometry & MOs

Info

ID:	186761
PubChem CID:	77479927
Reduced:	N2O3C10H16 (1)
Stoich.:	A2B3C10D16 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-121.65
Dipole, Da:	11.91
IP(EA), eV:	-9.2(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[3-hydroxy-3-(prop-2-enylamino)propyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)C=CC(=O)C1CCN(C1)C(=O)O

DOS

IR

Vibrations