Geometry & MOs

Info

ID:	137012
PubChem CID:	52137660
Reduced:	SO3N4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	228.140868
ΔH_f, kcal/mol:	-25.85
Dipole, Da:	6.27
IP(EA), eV:	-8.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamine

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=NC=C(O2)C3=CC4=C(C=C3)OCCO4)C(C)C

DOS

IR

Vibrations