Geometry & MOs

Info

ID:	329970
PubChem CID:	127246957
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	314.120132
ΔH_f, kcal/mol:	39.37
Dipole, Da:	3.02
IP(EA), eV:	-8.75(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)C3=NOC(=C3)C4CC4

DOS

IR

Vibrations