Geometry & MOs

Info

ID:	265840
PubChem CID:	103553403
Reduced:	ClFON3C14H21 (1)
Stoich.:	ABCD3E14F21 (1)
Weight, g/mol:	245.073118
ΔH_f, kcal/mol:	-105.82
Dipole, Da:	4.69
IP(EA), eV:	-8.28(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-fluoro-6-(oxazinan-2-yl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC2=C(C(=C(C=C2N)N)Cl)F)CO

DOS

IR

Vibrations