Geometry & MOs

Info

ID:	313928
PubChem CID:	126619009
Reduced:	FON2H19C21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	374.163043
ΔH_f, kcal/mol:	-3.63
Dipole, Da:	3.0
IP(EA), eV:	-8.7(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-phenylmethoxyphenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CNCC2=CC(=C(N=C21)C3=CC=C(C=C3)OCC4=CC=CC=C4)F

DOS

IR

Vibrations