Geometry & MOs

Info

ID:	80156
PubChem CID:	49833292
Reduced:	F3O3N5H12C17 (1)
Stoich.:	A3B3C5D12E17 (1)
Weight, g/mol:	477.23108
ΔH_f, kcal/mol:	-99.15
Dipole, Da:	4.94
IP(EA), eV:	-9.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-imidazo[1,2-a]pyridin-5-yl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N,N-dimethylpiperidin-4-amine

Drug info:

PubChemData

Smile

C1C(ON=C1OC2=CC=C(C=C2)C3=NNN=N3)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations