Geometry & MOs

Info

ID:	298781
PubChem CID:	117656667
Reduced:	O4N5C9H11 (1)
Stoich.:	A4B5C9D11 (1)
Weight, g/mol:	209.073517
ΔH_f, kcal/mol:	21.51
Dipole, Da:	3.16
IP(EA), eV:	-8.95(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[(E)-pyrazin-2-ylmethylideneamino]thiourea

Drug info:

PubChemData

Smile

CCC(=O)OCC(=C)C(=O)OC#CN=NN=NN

DOS

IR

Vibrations