Geometry & MOs

Info

ID:	191691
PubChem CID:	78178289
Reduced:	O8N10C21H26 (1)
Stoich.:	A8B10C21D26 (1)
Weight, g/mol:	297.168856
ΔH_f, kcal/mol:	-208.2
Dipole, Da:	2.82
IP(EA), eV:	-9.15(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]hexanoic acid

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NCNC4=C5C(=NC=N4)N(C=N5)C6C(C(C(O6)CO)O)O

DOS

IR

Vibrations