Geometry & MOs

Info

ID:	298651
PubChem CID:	117653536
Reduced:	ON5H15C22 (1)
Stoich.:	AB5C15D22 (1)
Weight, g/mol:	236.127326
ΔH_f, kcal/mol:	123.11
Dipole, Da:	2.89
IP(EA), eV:	-9.07(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-amino-4-methylpyridin-2-yl)piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1C=C(C=C2)C3=CC4=C(C=C3)C(=O)N=C4)C5=CN=CC=C5

DOS

IR

Vibrations