Geometry & MOs

Info

ID:	295546
PubChem CID:	117533339
Reduced:	ClNOSH8C11 (1)
Stoich.:	ABCDE8F11 (1)
Weight, g/mol:	267.02588
ΔH_f, kcal/mol:	11.53
Dipole, Da:	2.53
IP(EA), eV:	-9.47(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromophenyl)-1-methylpiperidin-3-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C=O

DOS

IR

Vibrations