Geometry & MOs

Info

ID:	412701
PubChem CID:	135085615
Reduced:	NOSC14H25 (1)
Stoich.:	ABCD14E25 (1)
Weight, g/mol:	242.03063
ΔH_f, kcal/mol:	-63.11
Dipole, Da:	3.82
IP(EA), eV:	-9.6(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromopropyl)-4,5,6,7-tetrahydro-1-benzofuran

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(=O)N=C=S

DOS

IR

Vibrations