Geometry & MOs

Info

ID:	291728
PubChem CID:	113460623
Reduced:	BrON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	324.08373
ΔH_f, kcal/mol:	1.47
Dipole, Da:	2.41
IP(EA), eV:	-9.78(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-methylphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Br)C(=O)NCCC2=CC=CC=N2

DOS

IR

Vibrations