Geometry & MOs

Info

ID:	267904
PubChem CID:	103590227
Reduced:	FSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	238.148141
ΔH_f, kcal/mol:	-129.9
Dipole, Da:	5.01
IP(EA), eV:	-8.65(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-5-methyl-1-N-(oxan-3-ylmethyl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)NC2(CCS(=O)(=O)C2)C

DOS

IR

Vibrations