Geometry & MOs

Info

ID:	318307
PubChem CID:	126650411
Reduced:	NO5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	544.1209
ΔH_f, kcal/mol:	-207.59
Dipole, Da:	7.12
IP(EA), eV:	-8.94(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3R,4S)-4-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-oxo-1H-isoindole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC(C(CN1C(=O)O)C(=O)OC)C2=CC=C(C=C2)OC

DOS

IR

Vibrations