Geometry & MOs

Info

ID:	205696
PubChem CID:	80137318
Reduced:	FN3C15H18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	275.107005
ΔH_f, kcal/mol:	-10.4
Dipole, Da:	1.0
IP(EA), eV:	-8.63(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-5-fluoropyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C(=N1)C2=CC(=C(C=C2)F)C)C

DOS

IR

Vibrations