Geometry & MOs

Info

ID:	278019
PubChem CID:	103832765
Reduced:	OSN2C12H24 (1)
Stoich.:	ABC2D12E24 (1)
Weight, g/mol:	239.17461
ΔH_f, kcal/mol:	-80.58
Dipole, Da:	3.9
IP(EA), eV:	-8.72(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexanamide

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC1CCC(C1)SC)N

DOS

IR

Vibrations