Geometry & MOs

Info

ID:	291992
PubChem CID:	114003500
Reduced:	ClSN2O2C11H13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	312.01095
ΔH_f, kcal/mol:	-61.67
Dipole, Da:	3.49
IP(EA), eV:	-8.69(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-(2-methyl-3-nitrophenyl)piperidin-2-one

Drug info:

PubChemData

Smile

COCCC(=O)NC1=C(C=C(C=C1)C(=S)N)Cl

DOS

IR

Vibrations