Geometry & MOs

Info

ID:	126542
PubChem CID:	50967606
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	298.095357
ΔH_f, kcal/mol:	-10.94
Dipole, Da:	2.2
IP(EA), eV:	-9.13(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(4-hydroxyphenyl)-2-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)acetate

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=C(C=CC=N2)C(=O)O)C3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations