Geometry & MOs

Info

ID:	210082
PubChem CID:	80759651
Reduced:	BrN4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	276.102254
ΔH_f, kcal/mol:	39.36
Dipole, Da:	6.24
IP(EA), eV:	-8.57(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1,3-benzodioxol-5-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1NC2=C(C=C(C=C2)Br)C)NCC

DOS

IR

Vibrations