Geometry & MOs

Info

ID:	261790
PubChem CID:	103250959
Reduced:	BrNO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-63.16
Dipole, Da:	6.15
IP(EA), eV:	-9.44(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(but-3-ynylamino)acetyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2CC1CC2CNCC3=C(C=C(C=C3)C(=O)O)Br

DOS

IR

Vibrations