Geometry & MOs

Info

ID:	171488
PubChem CID:	75383748
Reduced:	NSO3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	329.073574
ΔH_f, kcal/mol:	-172.37
Dipole, Da:	6.0
IP(EA), eV:	-9.08(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CCCSCC(=O)NCCCCCCC(=O)O

DOS

IR

Vibrations