Geometry & MOs

Info

ID:	276710
PubChem CID:	103824768
Reduced:	ON5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	240.029267
ΔH_f, kcal/mol:	-9.28
Dipole, Da:	3.57
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(trifluoromethylsulfanyl)ethyl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(C)CCCNC(=O)C1=NC=NN1

DOS

IR

Vibrations