Geometry & MOs

Info

ID:	267924
PubChem CID:	103590360
Reduced:	FN3C14H22 (1)
Stoich.:	AB3C14D22 (1)
Weight, g/mol:	264.109648
ΔH_f, kcal/mol:	-42.35
Dipole, Da:	4.18
IP(EA), eV:	-7.88(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)NCCCN2CCCC2

DOS

IR

Vibrations