Geometry & MOs

Info

ID:	259186
PubChem CID:	103158523
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	274.152872
ΔH_f, kcal/mol:	-70.53
Dipole, Da:	5.22
IP(EA), eV:	-9.55(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(CC2CCCC2)O)C)C#N

DOS

IR

Vibrations