Geometry & MOs

Info

ID:	296097
PubChem CID:	117556418
Reduced:	N5C12H23 (1)
Stoich.:	A5B12C23 (1)
Weight, g/mol:	259.106925
ΔH_f, kcal/mol:	11.72
Dipole, Da:	3.82
IP(EA), eV:	-8.7(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]acetic acid

Drug info:

PubChemData

Smile

CCC(C)NC1=CC(=NC=N1)N(C)CCCN

DOS

IR

Vibrations