Geometry & MOs

Info

ID:	279160
PubChem CID:	103841774
Reduced:	BrClNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	358.04475
ΔH_f, kcal/mol:	-46.39
Dipole, Da:	4.54
IP(EA), eV:	-9.83(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)CNC(=O)C1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations