Geometry & MOs

Info

ID:	232010
PubChem CID:	87575121
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	286.0027
ΔH_f, kcal/mol:	-24.2
Dipole, Da:	5.01
IP(EA), eV:	-8.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-phenylethanone;thiolane

Drug info:

PubChemData

Smile

CN[C@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)NO

DOS

IR

Vibrations