Geometry & MOs

Info

ID:	210102
PubChem CID:	80763263
Reduced:	IN4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	262.086604
ΔH_f, kcal/mol:	57.05
Dipole, Da:	2.54
IP(EA), eV:	-8.68(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoropyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)C)NC2=CC=CC=C2I

DOS

IR

Vibrations