Geometry & MOs

Info

ID:	136991
PubChem CID:	52134966
Reduced:	OSN6C13H20 (1)
Stoich.:	ABC6D13E20 (1)
Weight, g/mol:	322.157581
ΔH_f, kcal/mol:	29.68
Dipole, Da:	6.64
IP(EA), eV:	-9.13(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethyl-5-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC)CCC2=CN(N=C2)C

DOS

IR

Vibrations