Geometry & MOs

Info

ID:	355291
PubChem CID:	127288248
Reduced:	F3N8C13H13 (1)
Stoich.:	A3B8C13D13 (1)
Weight, g/mol:	348.169859
ΔH_f, kcal/mol:	-8.19
Dipole, Da:	5.59
IP(EA), eV:	-9.89(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NN3C(=NN=C3C(F)(F)F)C=C2)N4C=NC=N4

DOS

IR

Vibrations