Geometry & MOs

Info

ID:	364029
PubChem CID:	127313700
Reduced:	OSN5C13H15 (1)
Stoich.:	ABC5D13E15 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	26.87
Dipole, Da:	4.86
IP(EA), eV:	-9.11(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NSC(=C1C(=O)N2CCC3=CN=CN=C3C2)NC

DOS

IR

Vibrations