Geometry & MOs

Info

ID:	141591
PubChem CID:	52899754
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	375.101919
ΔH_f, kcal/mol:	-78.15
Dipole, Da:	5.85
IP(EA), eV:	-8.25(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(4-cyanophenyl)-1-(2-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations