Geometry & MOs

Info

ID:	262862
PubChem CID:	103323805
Reduced:	SN4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	291.115381
ΔH_f, kcal/mol:	42.03
Dipole, Da:	4.41
IP(EA), eV:	-8.04(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)NC)N3CCCC3

DOS

IR

Vibrations