Geometry & MOs

Info

ID:	150232
PubChem CID:	53789919
Reduced:	NO2C10H19 (1)
Stoich.:	AB2C10D19 (1)
Weight, g/mol:	260.159872
ΔH_f, kcal/mol:	-124.54
Dipole, Da:	2.53
IP(EA), eV:	-9.72(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-phenylhex-5-en-3-yl)thiane

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1OC(=O)[C@@H](C)N

DOS

IR

Vibrations