Geometry & MOs

Info

ID:	166095
PubChem CID:	74637059
Reduced:	Cl2O3N4C16H21 (1)
Stoich.:	A2B3C4D16E21 (1)
Weight, g/mol:	336.160456
ΔH_f, kcal/mol:	-111.7
Dipole, Da:	6.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756160
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-methyl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)C[NH+]1CCCC1C(=O)NC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations