Geometry & MOs

Info

ID:	267886
PubChem CID:	103590158
Reduced:	FON3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	328.00451
ΔH_f, kcal/mol:	-78.87
Dipole, Da:	3.48
IP(EA), eV:	-8.33(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-1-N,5-dimethylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)N2CCCC2C(=O)NC

DOS

IR

Vibrations