Geometry & MOs

Info

ID:	313901
PubChem CID:	126618771
Reduced:	ON2H20C21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	456.100748
ΔH_f, kcal/mol:	40.78
Dipole, Da:	0.86
IP(EA), eV:	-8.54(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]butanoic acid

Drug info:

PubChemData

Smile

C1CNCC2=C1N=C(C=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations