Geometry & MOs

Info

ID:	364003
PubChem CID:	127313674
Reduced:	OSN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	12.18
Dipole, Da:	4.46
IP(EA), eV:	-8.43(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)(C)N1C=CN=C1SCC(=O)N2CCC3=CN=CN=C3C2

DOS

IR

Vibrations