Geometry & MOs

Info

ID:	247206
PubChem CID:	103068708
Reduced:	N3S3C7H11 (1)
Stoich.:	A3B3C7D11 (1)
Weight, g/mol:	212.109568
ΔH_f, kcal/mol:	74.56
Dipole, Da:	2.12
IP(EA), eV:	-8.58(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CSC1=NN=C(S1)SCC(=C)CN

DOS

IR

Vibrations