Geometry & MOs

Info

ID:	210655
PubChem CID:	80835927
Reduced:	FON4H11C12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	290.093439
ΔH_f, kcal/mol:	-13.93
Dipole, Da:	1.63
IP(EA), eV:	-9.05(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-ethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2O1)NC3=NC(=NC=C3F)N

DOS

IR

Vibrations