Geometry & MOs

Info

ID:	286878
PubChem CID:	104223345
Reduced:	ClFON3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	294.051968
ΔH_f, kcal/mol:	-23.62
Dipole, Da:	4.39
IP(EA), eV:	-9.41(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)OC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations