Geometry & MOs

Info

ID:	247149
PubChem CID:	103068214
Reduced:	SN5C9H15 (1)
Stoich.:	AB5C9D15 (1)
Weight, g/mol:	212.109568
ΔH_f, kcal/mol:	109.96
Dipole, Da:	6.62
IP(EA), eV:	-9.23(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCC(=C)CNC2CC2

DOS

IR

Vibrations