Geometry & MOs

Info

ID:	262899
PubChem CID:	103328188
Reduced:	SN4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	305.131031
ΔH_f, kcal/mol:	21.17
Dipole, Da:	4.81
IP(EA), eV:	-8.1(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-1-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)C2=C3C=C(SC3=NC(=N2)N)CC

DOS

IR

Vibrations