Geometry & MOs

Info

ID:	200571
PubChem CID:	79411727
Reduced:	NOF3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	261.01868
ΔH_f, kcal/mol:	-205.61
Dipole, Da:	4.88
IP(EA), eV:	-9.55(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromothiophen-2-yl)hexan-2-amine

Drug info:

PubChemData

Smile

CCCC(CN)C(C1=CC=C(C=C1)C(F)(F)F)O

DOS

IR

Vibrations