Geometry & MOs

Info

ID:	161204
PubChem CID:	57391032
Reduced:	ClON5H14C15 (1)
Stoich.:	ABC5D14E15 (1)
Weight, g/mol:	287.118238
ΔH_f, kcal/mol:	53.45
Dipole, Da:	2.43
IP(EA), eV:	-8.57(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1[C@@H]2CN[C@H]1CN2C3=NC(=NC4=C3OC5=C4C=C(C=C5)Cl)N

DOS

IR

Vibrations