Geometry & MOs

Info

ID:	281409
PubChem CID:	103913827
Reduced:	SO2N4C9H18 (1)
Stoich.:	AB2C4D9E18 (1)
Weight, g/mol:	260.130697
ΔH_f, kcal/mol:	-54.17
Dipole, Da:	7.95
IP(EA), eV:	-9.83(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(C)CS(=O)(=O)C

DOS

IR

Vibrations