Geometry & MOs

Info

ID:	286889
PubChem CID:	104223406
Reduced:	BrFON3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	338.00145
ΔH_f, kcal/mol:	-25.99
Dipole, Da:	5.23
IP(EA), eV:	-9.39(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-bromo-2-nitrophenoxy)pyrimidin-5-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CN=C(N=C1)OC2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations