Geometry & MOs

Info

ID:	374544
PubChem CID:	131331298
Reduced:	BFN2O2C10H14 (1)
Stoich.:	ABC2D2E10F14 (1)
Weight, g/mol:	273.01868
ΔH_f, kcal/mol:	-168.31
Dipole, Da:	3.36
IP(EA), eV:	-8.73(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromothiophen-2-yl)cycloheptan-1-amine

Drug info:

PubChemData

Smile

B(C1=CC(=C(C=C1)N2CCNCC2)F)(O)O

DOS

IR

Vibrations