Geometry & MOs

Info

ID:	415895
PubChem CID:	135088897
Reduced:	FO3N4C23H33 (1)
Stoich.:	AB3C4D23E33 (1)
Weight, g/mol:	339.151767
ΔH_f, kcal/mol:	-100.01
Dipole, Da:	4.08
IP(EA), eV:	-8.64(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[4-[(3-methylpyridin-2-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CCN(C)C1(CCCCC1)CNC(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations