Geometry & MOs

Info

ID:	318296
PubChem CID:	126650386
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	410.184172
ΔH_f, kcal/mol:	-170.38
Dipole, Da:	7.52
IP(EA), eV:	-8.83(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,5R)-4-(4-methoxyphenyl)-2-methyl-5-[(3-oxo-1,2-dihydroisoindol-5-yl)oxymethyl]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC(C(CN1C(=O)O)COC2=CC3=C(CNC3=O)C=C2)C4=CC=C(C=C4)OC

DOS

IR

Vibrations