Geometry & MOs

Info

ID:	277941
PubChem CID:	103832062
Reduced:	OSN3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	225.15896
ΔH_f, kcal/mol:	-35.92
Dipole, Da:	1.46
IP(EA), eV:	-9.56(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC(C)C1=NC=CS1)N

DOS

IR

Vibrations