Geometry & MOs

Info

ID:	324800
PubChem CID:	126678372
Reduced:	NO16C23H43 (1)
Stoich.:	AB16C23D43 (1)
Weight, g/mol:	400.07864
ΔH_f, kcal/mol:	-733.17
Dipole, Da:	11.37
IP(EA), eV:	-9.66(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(3S,4R)-4-(4-bromophenyl)piperidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one

Drug info:

PubChemData

Smile

C(CCN)CCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O

DOS

IR

Vibrations