Geometry & MOs

Info

ID:	146486
PubChem CID:	53696400
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	301.200156
ΔH_f, kcal/mol:	-4.72
Dipole, Da:	2.61
IP(EA), eV:	-8.86(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-amino-2-hydroxypropyl)-3-(tert-butylcarbamoyl)piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCOC1(C2=CC(=CC=C2)O1)C(=O)OC

DOS

IR

Vibrations