Geometry & MOs

Info

ID:	418538
PubChem CID:	135105633
Reduced:	NSO6C15H21 (1)
Stoich.:	ABC6D15E21 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-249.05
Dipole, Da:	10.74
IP(EA), eV:	-9.62(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1H-imidazol-2-yl)ethylamino]-5,6-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@H](C2)C(=O)O)O)C

DOS

IR

Vibrations