Geometry & MOs

Info

ID:	324369
PubChem CID:	126677527
Reduced:	ON4H8C10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	452.231122
ΔH_f, kcal/mol:	111.85
Dipole, Da:	2.15
IP(EA), eV:	-9.41(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4R)-4-(4-methoxyphenyl)-3-[(3-oxo-1,2-dihydroisoindol-5-yl)oxymethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C2=NC=NN2)N=O

DOS

IR

Vibrations