Geometry & MOs

Info

ID:	197834
PubChem CID:	79005536
Reduced:	BrNOSC13H18 (1)
Stoich.:	ABCDE13F18 (1)
Weight, g/mol:	329.0449
ΔH_f, kcal/mol:	-46.17
Dipole, Da:	3.46
IP(EA), eV:	-9.32(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]cyclooctanecarboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)C(=O)NCC2=C(C=CS2)Br

DOS

IR

Vibrations