Geometry & MOs

Info

ID:	139470
PubChem CID:	52537758
Reduced:	O2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	393.15415
ΔH_f, kcal/mol:	48.93
Dipole, Da:	2.91
IP(EA), eV:	-9.51(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-bromophenyl)-N-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-yl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CONC(=O)[C@H](C2=CC=CC=C2)N3C=CC=N3

DOS

IR

Vibrations