Geometry & MOs

Info

ID:	247190
PubChem CID:	103068565
Reduced:	NO2S2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	223.114319
ΔH_f, kcal/mol:	-54.27
Dipole, Da:	6.44
IP(EA), eV:	-8.83(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCNCC(=C)CSC1=CC=C(C=C1)S(=O)(=O)C

DOS

IR

Vibrations