Geometry & MOs

Info

ID:	305858
PubChem CID:	124971543
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	512.16746
ΔH_f, kcal/mol:	-40.84
Dipole, Da:	6.62
IP(EA), eV:	-8.43(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenyl)-1-[(3R)-3-(2-oxo-2-piperidin-1-ylethyl)-3-(phenoxymethyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)CCCC(=O)N2CCO[C@@H](C2)C3=NC=C(C=C3)NC4=NC=CC=N4

DOS

IR

Vibrations