Geometry & MOs

Info

ID:	342545
PubChem CID:	127265700
Reduced:	NSC4H6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	56.63
Dipole, Da:	2.45
IP(EA), eV:	-9.06(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pent-4-enamide

Drug info:

PubChemData

Smile

CCC=CCCSC1=NN=CS1

DOS

IR

Vibrations