Geometry & MOs

Info

ID:	137014
PubChem CID:	52138294
Reduced:	ClSN3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	256.172168
ΔH_f, kcal/mol:	39.97
Dipole, Da:	5.4
IP(EA), eV:	-8.77(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=C1SC/C=C/Cl)C2CCC2

DOS

IR

Vibrations