Geometry & MOs

Info

ID:	143455
PubChem CID:	53211018
Reduced:	BrO3N4H15C20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	200.116092
ΔH_f, kcal/mol:	21.63
Dipole, Da:	6.5
IP(EA), eV:	-8.17(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-2-(2-piperidin-1-ylethylamino)acetic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)N=C2C(=C3C=CC(=O)C=C3)NC4=CNC(=CN42)Br

DOS

IR

Vibrations