Geometry & MOs

Info

ID:	225409
PubChem CID:	85756766
Reduced:	ClNO5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	282.157957
ΔH_f, kcal/mol:	-120.64
Dipole, Da:	0.61
IP(EA), eV:	-9.04(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=CC=CC=C2C(=C1NC(=O)CCl)C(=O)OCC

DOS

IR

Vibrations