Geometry & MOs

Info

ID:	316169
PubChem CID:	126630273
Reduced:	N2O3C25H26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	442.085098
ΔH_f, kcal/mol:	-56.26
Dipole, Da:	6.92
IP(EA), eV:	-8.93(-0.55)
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]propanoic acid

Drug info:

PubChemData

Smile

CC(CN1CCC2=C(C1)C=CC(=N2)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations