Geometry & MOs

Info

ID:	277938
PubChem CID:	103832049
Reduced:	OSN3C10H17 (1)
Stoich.:	ABC3D10E17 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-27.64
Dipole, Da:	2.51
IP(EA), eV:	-9.44(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(3-methylpyridin-4-yl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCC1=CSC=N1)N

DOS

IR

Vibrations