Geometry & MOs

Info

ID:	135842
PubChem CID:	51946313
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	338.09938
ΔH_f, kcal/mol:	-52.07
Dipole, Da:	10.41
IP(EA), eV:	-8.76(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(CC1)C2=CC=C(C=C2)C(=O)O[C@H](C3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations