Geometry & MOs

Info

ID:	279585
PubChem CID:	103844392
Reduced:	ClON2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-48.39
Dipole, Da:	2.51
IP(EA), eV:	-8.69(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(C=CC=N1)Cl)CO

DOS

IR

Vibrations